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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H28N2O3
Molecular Weight 428.5228
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUININE BENZOATE

SMILES

[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](OC(=O)C3=CC=CC=C3)C4=C5C=C(OC)C=CC5=NC=C4

InChI

InChIKey=UOXLNYIYPISSFF-KBCVXPAYSA-N
InChI=1S/C27H28N2O3/c1-3-18-17-29-14-12-20(18)15-25(29)26(32-27(30)19-7-5-4-6-8-19)22-11-13-28-24-10-9-21(31-2)16-23(22)24/h3-11,13,16,18,20,25-26H,1,12,14-15,17H2,2H3/t18-,20-,25-,26+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
QUININE BENZOATE
WHO-DD  
Common Name English
QUININE, BENZOATE (ESTER)
Common Name English
CINCHONAN-9-OL, 6'-METHOXY-, 9-BENZOATE, (8.ALPHA.,9R)-
Common Name English
O-BENZOYLQUININE
Common Name English
BENZOYLQUININE
Common Name English
Quinine benzoate [WHO-DD]
Common Name English
Code System Code Type Description
EVMPD
SUB15087MIG
Created by admin on Fri Dec 15 15:57:52 UTC 2023 , Edited by admin on Fri Dec 15 15:57:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID001317444
Created by admin on Fri Dec 15 15:57:52 UTC 2023 , Edited by admin on Fri Dec 15 15:57:52 UTC 2023
PRIMARY
CAS
69758-70-9
Created by admin on Fri Dec 15 15:57:52 UTC 2023 , Edited by admin on Fri Dec 15 15:57:52 UTC 2023
PRIMARY
SMS_ID
100000078620
Created by admin on Fri Dec 15 15:57:52 UTC 2023 , Edited by admin on Fri Dec 15 15:57:52 UTC 2023
PRIMARY
PUBCHEM
10342538
Created by admin on Fri Dec 15 15:57:52 UTC 2023 , Edited by admin on Fri Dec 15 15:57:52 UTC 2023
PRIMARY
FDA UNII
M7NJZ2VIKX
Created by admin on Fri Dec 15 15:57:52 UTC 2023 , Edited by admin on Fri Dec 15 15:57:52 UTC 2023
PRIMARY