U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C20H24N2O2.C6H8O7
Molecular Weight 840.957
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUININE CITRATE

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C3=C4C=C(OC)C=CC4=NC=C3.[H][C@]5(C[C@@H]6CC[N@]5C[C@@H]6C=C)[C@H](O)C7=C8C=C(OC)C=CC8=NC=C7

InChI

InChIKey=YSFIPRFOHJQXJF-VMJVVOMYSA-N
InChI=1S/2C20H24N2O2.C6H8O7/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t2*13-,14-,19-,20+;/m00./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
QUININE CITRATE
WHO-DD  
Common Name English
Quinine citrate [WHO-DD]
Common Name English
QUININE, CITRATE (2:1) (SALT)
Common Name English
CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9R)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (2:1) (SALT)
Common Name English
Classification Tree Code System Code
CFR 21 CFR 310.547
Created by admin on Fri Dec 15 15:13:57 UTC 2023 , Edited by admin on Fri Dec 15 15:13:57 UTC 2023
Code System Code Type Description
PUBCHEM
71586768
Created by admin on Fri Dec 15 15:13:57 UTC 2023 , Edited by admin on Fri Dec 15 15:13:57 UTC 2023
PRIMARY
DRUG BANK
DBSALT002255
Created by admin on Fri Dec 15 15:13:57 UTC 2023 , Edited by admin on Fri Dec 15 15:13:57 UTC 2023
PRIMARY
FDA UNII
L8D5LFU229
Created by admin on Fri Dec 15 15:13:57 UTC 2023 , Edited by admin on Fri Dec 15 15:13:57 UTC 2023
PRIMARY
SMS_ID
100000078601
Created by admin on Fri Dec 15 15:13:57 UTC 2023 , Edited by admin on Fri Dec 15 15:13:57 UTC 2023
PRIMARY
EVMPD
SUB15089MIG
Created by admin on Fri Dec 15 15:13:57 UTC 2023 , Edited by admin on Fri Dec 15 15:13:57 UTC 2023
PRIMARY
CAS
752-72-7
Created by admin on Fri Dec 15 15:13:57 UTC 2023 , Edited by admin on Fri Dec 15 15:13:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID10226178
Created by admin on Fri Dec 15 15:13:57 UTC 2023 , Edited by admin on Fri Dec 15 15:13:57 UTC 2023
PRIMARY
ECHA (EC/EINECS)
212-037-1
Created by admin on Fri Dec 15 15:13:57 UTC 2023 , Edited by admin on Fri Dec 15 15:13:57 UTC 2023
PRIMARY