Accessing PubChem through PUG-REST: Part II

Accessing PubChem through PUG-REST: Part II#

import requests
import time
from IPython.display import Image, display

1. Accessing PubChem data using a chemical name#

You can access PubChem data using a chemical name.

print("CID             :", requests.get("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/aspirin/cids/TXT").text.strip())
print("MolecularFormula:", requests.get("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/aspirin/property/MolecularFormula/TXT").text.strip())
print("MolecularWeight :", requests.get("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/aspirin/property/MolecularWeight/TXT").text.strip())
print("IsomericSMILES  :", requests.get("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/aspirin/property/IsomericSMILES/TXT").text.strip())

CID             : 2244

MolecularFormula: C9H8O4

MolecularWeight : 180.16

IsomericSMILES  : CC(=O)OC1=CC=CC=C1C(=O)O

It is very important to understand that, in the real world, people use a chemical name to refer to different, often closely related, chemicals. An example is a drug name, as shown in this example.

cids1 = requests.get("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/aleve/cids/TXT").text.strip().split()
print(cids1)

['156391', '23681059', '6925666']

for mycid in cids1:
    display(Image(requests.get("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/" + mycid + "/record/PNG?image_size=200x200").content))
    print("CID " + mycid, ":", requests.get("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/" + mycid + "/property/MolecularFormula/TXT").text)
    time.sleep(0.2)

../_images/ceb2eb736a4baf98ac60c0cf2962d49e3e620b6111c9c22fe46031e1ead16832.png

CID 156391 : C14H14O3

../_images/198f5296d0a55e99a74954b6a256e42b85418779a609e6ba2ae5047432467cb1.png

CID 23681059 : C14H13NaO3

../_images/735af5550dd31c8b76f75b46b4dc5b56b1f26935fe6d255c24ec82cc0aae73e7.png

CID 6925666 : C14H13O3-

“Aleve” is the name of a drug product, whose active ingredient is naproxen sodium (CID 23681059). When dissolved in water, naproxen sodium dissociates into a naproxen anion (CID 6925666), which inhibits with the drug target, and a sodium atom. Note that the naproxen anion is the conjugate base of naproxen (CID 156391). While the three CIDs are structurally different, they are all freqently called “Aleve”.

It is also possible to get any PubChem compounds records whose name contains the string “aleve” (i.e., partial matching with the input name).

cids2 = requests.get("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/aleve/cids/TXT?name_type=word").text.strip().split()
print(cids2)

['23681059', '56841568', '77098502', '5018304', '156391', '6925666', '9581']

cids3 = [ x for x in cids2 if x not in cids1]   # remove the hits from the exact match.

for mycid in cids3:
    display(Image(requests.get("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/" + mycid + "/record/PNG?image_size=200x200").content))
    print("CID " + mycid, ":", requests.get("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/" + mycid + "/property/MolecularFormula/TXT").text)
    time.sleep(0.2)

../_images/3af5c40292f82c802ee83cd33a5057e094052d9a2c258ff68b821f7c38940be2.png

CID 56841568 : C24H30ClNO4

../_images/836a9733c618adea8bde929d42243bc5fa0d65e6f343e12a9e093f586baf48b4.png

CID 77098502 : C31H35ClNNaO4

../_images/e33d1dd5479d95dde00db7832167a38c53cb20071a87eedc53babe83599bbe36.png

CID 5018304 : C14H10Cl2NNaO2

../_images/72793c29696013f027987259a64b8046adb68e4869b32f23e3082adc2b770aef.png

CID 9581 : C10H16ClNO

2. Getting chemical names for a given chemical structure#

In the above example, the two CIDs from partial matching (CIDs 56841568 and CIDs 77098502) are the mixture of naproxen with other compounds. Because they are from partial matching with the name “aleve”, we know their names contain “aleve”, but what are they called exactly? We can figure this out by getting all synonyms for these compounds using PUG-REST.

for mycid in cids3:
    print("#-- CID", mycid)
    print(requests.get("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/" + mycid + "/synonyms/TXT").text)
    time.sleep(0.2)

#-- CID 56841568

Aleve-D Sinus & Cold
Aleve-D Sinus and Cold
Aleve-D Sinus and headache
Sinus and Cold D
equate sinus and cold d
RefChem:55691
Topcare Sinus and Cold D
All Day Sinus and Cold D
Leader All Day Sinus and Cold D
Vicks Sinex DSevere Sinus and Cold
Naproxen sodium, Pseudoephedrine HCl
Sudafed Sinus 12 Hour Pressure plus Pain
naproxen sodium, pseudeoephedrine hydrochloride
naproxen sodium, pseudoephedrine hydrochloride
Naproxen sodium and Pseudoephedrine Hydrochloride
NAPROXEN SODIUM/PSEUDOEPHEDRINE HYDROCHLORIDE
NAPROXEN SODIUM;PSEUDOEPHEDRINE HYDROCHLORIDE
PSEUDOEPHEDRINE HYDROCHLORIDE/NAPROXEN SODIUM
PSEUDOEPHEDRINE HYDROCHLORIDE;NAPROXEN SODIUM
NAPROXEN SODIUM / PSEUDOEPHEDRINE HYDROCHLORIDE
NAPROXEN SODIUM; PSEUDOEPHEDRINE HYDROCHLORIDE
PSEUDOEPHEDRINE HYDROCHLORIDE / NAPROXEN SODIUM
Naproxen Sodium and Pseudoephedrine Hydrochloride Sinus and Cold
Naproxen Sodium and Pseudoephedrine Hydrochloride Sinus and Headache
Naproxen / pseudoephedrine
141623-29-2
DTXSID80931146
2-(6-Methoxynaphthalen-2-yl)propanoic acid--2-(methylamino)-1-phenylpropan-1-ol--hydrogen chloride (1/1/1)

#-- CID 77098502

Aleve PM
Diphenhydramine hydrochloride and naproxen sodium
Naproxen PM
Naproxen Sodium PM
RefChem:55049
careone naproxen sodium pm
All Night Pain Relief PM
equaline naproxen sodium pm
dg health naproxen sodium pm
equate all night pain relief
basic care naproxen sodium pm
up and up naproxen sodium pm
signature care naproxen sodium pm
topcare all night pain relief pm
Naproxen Sodium and Diphenhydramine
Naproxen Sodium Diphenhydramine HCl
Naproxen Sodium and Diphenhydramine HCl
Naproxen Sodium Diphenhydramine Hydrochloride
diphenhydramine hydrochloride, naproxen sodium
Diphenhydramine hydrochloride; naproxen sodium
DIPHENHYDRAMINE HYDROCHLORIDE/NAPROXEN SODIUM
DIPHENHYDRAMINE HYDROCHLORIDE;NAPROXEN SODIUM
NAPROXEN SODIUM/DIPHENHYDRAMINE HYDROCHLORIDE
NAPROXEN SODIUM;DIPHENHYDRAMINE HYDROCHLORIDE
DIPHENHYDRAMINE HYDROCHLORIDE / NAPROXEN SODIUM
NAPROXEN SODIUM / DIPHENHYDRAMINE HYDROCHLORIDE
NAPROXEN SODIUM AND DIPHENHYDRAMINE HYDROCHLORIDE
Naproxen sodium/DPH combination
SCHEMBL29919079
Diphenhydramine HCl / naproxen sodium
BAY98-7111
BAY 98-7111
Naproxen Sodium and diphenhydramine combination
S900006580

#-- CID 5018304

Diclofenac sodium
15307-79-6
Diclofenac sodium salt
Sodium diclofenac
Solaraze
Neriodin
Prophenatin
Voltaren
Diclophenac sodium
Abitren
Benfofen
Dyloject
Ecofenac
Pennsaid
Voltarene
GP 45840
Voltaren-XR
Diclophlogont
Dealgic
Deflamat
Delphinac
Diclomax
Dicloreum
Duravolten
Effekton
Lexobene
Novapirina
Primofenac
Rewodina
Voldal
Xenid
Rhumalgan
Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, monosodium salt
Sodium (o-(2,6-dichloroanilino)phenyl)acetate
DICLOFLEX
DTXSID3037208
Sodium (o-((2,6-dichlorophenyl)amino)phenyl)acetate
QTG126297Q
(o-(2,6-Dichloroanilino)phenyl)acetic acid sodium salt
(o-(2,6-Dichloroanilino)phenyl)acetic acid monosodium salt
2-((2,6-Dichlorophenyl)amino)benzeneacetic acid monosodium salt
NSC-756725
sodium {2-[(2,6-dichlorophenyl)amino]phenyl}acetate
GP-45840
CHEBI:4509
DTXCID1017208
Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monosodium salt
Sodium (2-((2,6-dichlorophenyl)amino)phenyl)acetate
ARTHROTEC COMPONENT DICLOFENAC SODIUM
Sodium [O-(2,6-dichloroanilino)phenyl]acetate
Diclosaicin
Diclostream
Inflammacin
Inflatherm
Lefluniclo
Acoflam
Arthronac
Capsinac
Clofenax
Defanac
Diclogen
Diclovol
Fenactol
Fenovar
Flamrase
Flexipak
Isclofen
Lixofen
Masidemen
Misofen
Mobigel
Motifene
Profinac
Slofenac
Valenac
Varophen
Volraman
Ziclopro
Econac
Inavix
Lextol
Enzed
Mobigel paineze
Voltarol active
Voltarol ophtha
Defanac retard
Dicloflex ret
DiMentho
SynaGel
Voltarene ret
Acoflam ret
Arthritis Pain
Dexomon ret
Dicloflex sr
Diclomax ret
Diclomax sr
Diclovol ret
Diclovol sr
Fenactol ret
Fenactol sr
Flamatak mr
Flamrase sr
Flexotard mr
Rhumalgan sr
Rhumalgan xl
Voltaren ret
Voltarol ret
Voltarol sr
Acoflam sr
Defanac sr
Dexomon sr
Diclotral Pak
Difenor xl
Voltarol emulgel
Econac sr
Econac xl
Enstar sr
Enstar xl
Diclofenac DR
DicloPR
Diclovix M
Iclofenac CP
Voltarene emulgel
Diclovix CM
LidoPR
VennGel One
Diclofinac Sodium
Voltarene l.p.
VennGel II
Arthrotec 50
Arthrotec 75
Diclotard 75 mr
Lofensaid 25
Lofensaid 50
Rhumalgan cr 75
Voltarol emulgel p
Voltarol gel patch
Diclofenac, Sodium
Diclozip 25
Diclozip 50
Lofensaid ret 75
Rheumatac ret 75
Volsaid ret 75
Closteril 100
Valdic 75 ret
Aspercreme Arthritis
Volsaid ret 100
DermasilkRx DicloPak
Diclotard 100 mr
Digenac xl 100
Rhumalgan cr 100
Valdic 100 ret
Diclofenac Sodium Dr
DICLOZOR
Lofensaid ret 100
Diclofenac Sodium ER
3% Diclofenac Spray
Equate Arthritis Pain
Diclofenac Sodium 1%
Diclofenac Sodium D/r
Sunmark Arthritis Pain
Arthritis Pain Reliever
Curist Arthritis Relief
RefChem:5744
arthritis pain relieving
DECLOFENAC SODIUM
DG health arthritis pain
basic care arthritis pain
good sense arthritis pain
Aleve Arthritis Pain Gel
Diclofenac Sodium Topical
Voltarol pain-eze emulgel
DeramsilkRx Anodynexa Pak
Diclofenac Sodium 1.5%
Inflammation Reduction Pack
Diclofenac Sodium, Capsaicin
MOTRIN ARTHRITIS PAIN
Voltarol 12 hour emulgel p
signature care arthritis pain
CareOne arthritis pain relief
DICLOFENAC SODIUM E/R
Diclofenac Sodium Topical Sol
Gencare-Arthritis Pain Relief
Sure Result DSS Premium Pak
topcare athritis pain reliever
Diclofenac Sodium Topical 1%
VOLTAREN ARTHRITIS PAIN
Diclofenac Sodium and Capsaicin
equaline arthritis pain relieving
berkley and jensen arthritis pain
Diclofenac Sodium Delayed Release
up and up arthritis pain reliever
Diclofenac Sodium Extended-release
Diclofenac Sodium Topical Gel 1%
Diclofenac Sodium Topical Solution
Diclofenac Sodium Topical Gel, 1%
Diclofenac Sodium, Kinesiology tape
kirkland signature diclofenac sodium
members mark arthritis pain reliever
Diclofenac sodium, isopropyl alcohol
Diclofenac Sodium Topical Gel, 1%,
good neighbor pharmacy arthritis pain
Leflunomide and Diclofenac Sodium Gel
Diclofenac Sodium, Camphor and Menthol
AMAZON BASIC CARE ARTHRITIS PAIN
Crcle Diclofenac Sodium Topical Gel 1%
kirkland signature arthritis pain relief
Surpass Topical Anti-Inflammatory Cream
Diclofenac Sodium and Menthol / Camphor Gel
Diclofenac Sodium Topical Gel, 1% (NSAID)
Diclofenac Sodium and Menthol, Methyl salicylate
Diclofenac Sodium Delayed Release Delayed Release
diclofenac gel, METHYL SALICYLATE, MENTHOL cream
Monosodium 2-(2,6-dichlorophenylamino)phenylacetate
diclofenac sodium, with capsaicin cream and menthol gel
diclofenac sodium delayed release tablets, capsaicin cream
Diclofenac Sodium 1.5% Solution and Menthol 10% Topical Liquid
diclofenac sodium, with camphor, lidocaine, and methyl salicylate patch
Diclofenac Sodium 1.5% Solution, Menthol 10% Topical Liquid, and Kinesiology Tape
DICLOFENAC SODIUM 3% / HYALURONIC ACID SODIUM SALT 2% / NIACINAMIDE 4%
diclofenac sodium delayed release tablets, ranitidine tablets, capsaicin cream
239-346-4
Diclofenac (Sodium)
Feloran
Orthophen
Voltarol
MFCD00082251
Olfen
sodium 2-(2-((2,6-dichlorophenyl)amino)phenyl)acetate
2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid sodium salt
sodium;2-[2-(2,6-dichloroanilino)phenyl]acetate
sodium 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate
MLS000028386
s1903
NCGC00017082-02
Anthraxiton
Batafil
Delimon
Delphimix
Dichronic
Kriplex
Ortofen
SMR000058567
Tsudohmin
Valetan
Vonafec
Blesin
Urigon
Vurdon
Solaraze (TN)
CAS-15307-79-6
Diclofenac sodium 100 microg/mL in Acetonitrile
2-(2,6-Dichloroanilino)phenylacetic Acid Sodium Salt
Assaren
Voltaren Gel
Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, monosodium salt [CAS]
SMR000449318
CCRIS 1909
Diclofenac Sodium Salt (1mg/ml in Methanol)
EINECS 239-346-4
Ba 47210
Diclofenac sodium injection
Sodium 2-[2-[(2,6-Dichlorophenyl)amino]phenyl]acetate
Diclofenac sodium topical gel
Berifen
DIC075V
Diclofenac sod
UNII-QTG126297Q
TDS 943
Sodium (o-(2,6-dichloroanilino)phenyl) acetate
Voltaren (TN)
Diclofenac sodium [USAN:USP:JAN]
Diclofenac sodium CRS
Opera_ID_564
SODIUM DICHLOFENAC
Lopac-D-6899
EC 239-346-4
CHEMBL1034
SCHEMBL24009
MLS000758255
MLS001148587
MLS001423970
MLS002222163
MLS003882590
SPECTRUM1500237
orb1308210
DICLOFENAC SODIUM [JAN]
Diclofenac (Sodium) (Standard)
Diclofenac sodium (JP18/USP)
DICLOFENAC SODIUM [USAN]
SCHEMBL29350388
Diclofenac for system suitability
HMS500N14
DICLOFENAC SODIUM [VANDF]
DICLOFENAC SODIUM [MART.]
REGID_for_CID_5018304
Acetic acid, o-(2,6-dichloroanilino)phenyl-, monosodium salt
GLXC-07892
HMS1569H10
HMS1920E16
HMS2051M05
HMS2091M06
HMS2096H10
HMS2235O06
HMS2236D03
HMS3261I04
HMS3369K11
HMS3371J05
HMS3393M05
HMS3650B13
HMS3655A22
HMS3713H10
HMS3884C16
HMS5080O21
KUC112363N
DICLOFENAC SODIUM [USP-RS]
DICLOFENAC SODIUM [WHO-DD]
DICLOFENAC SODIUM SALT [MI]
MSK10115
Tox21_110770
Tox21_300265
Tox21_500441
CCG-39754
EBC-11130
HY-15037R
SBB032269
STK400073
Diclofenac for system suitability CRS
AKOS000310014
AKOS005267222
AKOS024278942
DICLOFENAC SODIUM [GREEN BOOK]
Tox21_110770_1
AC-1487
CCG-100765
DICLOFENAC SODIUM [ORANGE BOOK]
FD15498
KS-5038
LP00441
NC00015
NSC 756725
SDCCGSBI-0050426.P002
DICLOFENAC SODIUM [EP MONOGRAPH]
KSC-322-017
DICLOFENAC SODIUM [USP MONOGRAPH]
NCGC00015361-01
NCGC00015361-02
NCGC00015361-03
NCGC00015361-04
NCGC00017082-01
NCGC00017082-03
NCGC00021125-03
NCGC00093858-01
NCGC00093858-02
NCGC00094648-01
NCGC00094648-02
NCGC00253928-01
NCGC00261126-01
BD166162
CPD000449318
HY-15037
ST024738
Diclofenac sodium salt - Bio-X trade mark
D2508
EU-0100441
NS00077139
Sodium 2-(2,6-Dichloroanilino)phenylacetate
SW196404-3
Diclofenac Sodium Salt (1 mg/ml in Methanol)
sodium 2-(2,6-dichloroanilino)-phenylacetate
BIM-0051341.0001
D 6899
D00904
D78205
F986624
sodium 2-[(2,6-dichlorophenyl)amino]phenylacetate
sodium 2-[(2,6-dichlorophenyl)-amino]phenylacetate
Q12430631
sodium 2-[(2,6-dichlorophenyl)-amino]-phenyl-acetate
sodium 2-[(2,6-dichlorophenyl)-amino]-phenylacetate
sodium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid
2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid sodium
Diclofenac Sodium 1.0 mg/ml in Methanol (as free acid)
Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, sodium salt (1:1)

#-- CID 9581

PSEUDOEPHEDRINE HYDROCHLORIDE
Pseudoephedrine Hcl
345-78-8
Rhinalair
Otrinol
Novafed
d-Pseudoephedrine hydrochloride
Sudafed 12 Hour
Galsud
Sudafed Plus
Sudafed 24 Hour
Efidac 24
L(+)-Pseudoephedrine hydrochloride
6V9V2RYJ8N
NSC-33634
Topcare 12 hour decongestant
NSC-106567
GALPSEUD
D-(alpha-(1-Methylamino)ethyl)benzyl alcohol hydrochloride
DTXSID10889343
NSC33634
NSC106567
Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, hydrochloride, (alphaS)-
CHEBI:8604
Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, hydrochloride (1:1), (alphaS)-
Pseudophed
Sudogest
Sinus
Dimotane plus
Galpseud plus
Pseudo-time
Sudafed-sa
Otrivine mu-cron
Zephrex D
Zephrex-D
Childrens Sudafed
Childrens Uniphed
Sinus Decongestion
pseudoephedrine.hcl
SudoGest 12 Hour
Dimotane plus l.a.
Sinus and Congestion
Nasal Decongestant D
Good Sense Suphedrine
equate sinus 12 hour
RefChem:6180
Rugby Nasal Decongestant
Leader Nasal Decongestant
Sudafed 12 hr decongest
equaline nasal decongestant
SUDAFED Sinus Congestion
Topcare Nasal Decongestant
Sudogest Nasal Decongestant
12 Hour Nasal Decongestant
Good Sense Nasal Decongestant
Nasal Decongestant Non-drowsy
Pseudoephedrine HCl Unit Dose
Equaline 12 Hour Decongestant
Good Sense Suphedrine 12 Hour
Sinus and Congestion Non-Drowsy
Sudafed Sinus Congestion 12 Hour
Sudafed Sinus Congestion 24 Hour
DTXCID401028605
Leader 12 Hour Nasal Decongestant
Childrens Sudafed Nasal Decongestant
Childrens Uniphed Nasal Decongestant
CareOne Nasal and Sinus Decongestant
Sinus Pressure and Congestion Relief
Cvs Health Non-drowsy Nasal Decongestant
Good Neighbor Pharmacy Nasal Decongestant
Rugby Nasal Decongestant Nasal Decongestant
Nasal Decongestant Maximum Strength Non Drowsy
Nasal Decongestant Maximum Strength, Non-Drowsy
Sinus Pressure and Congestion Relief Maximum Strength
Topcare Nasal Decongestant Maximum Strength Non Drowsy
Equaline Nasal Decongestant Non Drowsy Maximum Strength
hydron;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;chloride
206-462-1
Tussaphed
Sudafed
Sudomyl
First sign
Besan
Sudafed hydrochloride
Pseudophedrine hydrochloride
(+)-Pseudoephedrine hydrochloride
1S,2S-(+)-Pseudoephedrine hydrochloride
Sinufed
CoAdvil
(+)-Pseudoephedrine.HCl
Symptom 2
(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride
Pseudoephedrine, L-(+)-
Suphedrine
Nexafed
Dorcol
L-(+)-Pseudoephedrine hydrochloride
Sun mark sinus
Deconsal II
Sudafed Liquid, Children's
PediaCare Decongestant Drops
Benzenemethanol, hydrochloride, S-(R,R)-
WLN: QYR & Y1 & M1 & GH-L
Dimetapp Decongestant
Actifed Sinus Daytime
CPDD 0050
Benzenemethanol, hydrochloride, [S-(R*,R*)]-
EINECS 206-462-1
Pseudoephedrine hydrochloride [USAN]
NSC 33634
UNII-6V9V2RYJ8N
NSC 106567
D-[.alpha.-(1-Methylamino)ethyl]benzyl alcohol hydrochloride
Ornex and Maximum Strength Ornex
Sudafed (TN)
Pseudoephedrine, hydrochloride, L-(+)-
Pseudoephedrine hydrochloride [USAN:USP]
Tylenol Sinus Medication, Maximum Strength
Isoephedrine Hydrochloride
Contac Day & Night Allergy Sinus Day Caplets
psi-Ephedrine Hydrochloride
Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(R*,R*))-
EC 206-462-1
SCHEMBL33285
MLS001304069
SPECTRUM1500516
CHEMBL1200724
Sine-Off Maximum Strength No Drowsiness Formula Caplets
DMJSCEPQTCUJQW-KXNXZCPBSA-N
HMS1920N04
Pharmakon1600-01500516
DEA NO. 8112 (Hydrochloride)
BB_NC-01383
Pseudoephedrine hydrochloride (USP)
CCG-39241
NSC759616
AKOS027383893
Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (S-(R*,R*))-, hydrochloride
NSC-759616
Benzenemethanol, .alpha.-[(1S)-1-(methylamino)ethyl]-, hydrochloride, (.alpha.S)-
Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(theta,theta))-
PSEUDOEPHEDRINE HYDROCHLORIDE [MI]
SMR000718787
(+)-Pseudoephedrine hydrochloride, >=98%
NS00079374
P1654
PSEUDOEPHEDRINE HYDROCHLORIDE [MART.]
PSEUDOEPHEDRINE HYDROCHLORIDE [VANDF]
PSEUDOEPHEDRINE HYDROCHLORIDE [USP-RS]
PSEUDOEPHEDRINE HYDROCHLORIDE [WHO-DD]
D00485
345P788
PSEUDOEPHEDRINE HYDROCHLORIDE [ORANGE BOOK]
MYFED COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
PSEUDOEPHEDRINE HYDROCHLORIDE [EP MONOGRAPH]
PSEUDOEPHEDRINE HYDROCHLORIDE [USP MONOGRAPH]
ACTAHIST COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
ACTIFED COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
ALEVE-D COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
ALLERFED COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
CORPHED COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
HISTAFED COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
ISOCLOR COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
Pseudoephedrine hydrochloride CRS - *DRUG PRECURSOR
Q27108108
TRIPHED COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
ZYRTEC-D COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
ALLEGRA-D COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
BROMFED-DM COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
MUCINEX D COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
SEMPREX-D COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
TRIACIN-C COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
TRILITRON COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
(+)-Pseudoephedrine hydrochloride, Sigma Reference Standard
BROMANATE DM COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
DIMETANE-DX COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
SINE-AID IB COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
(1S,2S)-2-(Methylamino)-1-phenyl-1-propanol Hydrochloride
CODIMAL-L.A. 12 COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
ADVIL ALLERGY SINUS COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
CHILDREN'S ADVIL COLD COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
CHILDREN'S MOTRIN COLD COMPONENT PSEUDOEPHEDRINE HYDROCHLORIDE
(+)-Pseudoephedrine Hydrochloride 1.0 mg/ml in Methanol (as free base)
Pseudoephedrine hydrochloride, British Pharmacopoeia (BP) Reference Standard
Benzenemethanol, .alpha.-[(1S)-1-(methylamino)ethyl]-, hydrochloride (1:1), (.alpha.S)-
Pseudoephedrine hydrochloride, European Pharmacopoeia (EP) Reference Standard
Pseudoephedrine hydrochloride, United States Pharmacopeia (USP) Reference Standard

CID 56841568 is “Aleve-D Sinus & Cold” and CID 77098502 is “Aleve PM”

Accessing PubChem through PUG-REST: Part II

Contents

Accessing PubChem through PUG-REST: Part II#

1. Accessing PubChem data using a chemical name#

2. Getting chemical names for a given chemical structure#