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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N2O3
Molecular Weight 340.4162
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXYQUINIDINE

SMILES

[H][C@@]1(C[C@@H]2CC[N@]1C[C@]2(O)C=C)[C@@H](O)C3=C4C=C(OC)C=CC4=NC=C3

InChI

InChIKey=BSRUJCFCZKMFMB-LGWHJFRWSA-N
InChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3/t13-,18+,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H24N2O3
Molecular Weight 340.4162
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:48:37 GMT 2023
Edited
by admin
on Sat Dec 16 09:48:37 GMT 2023
Record UNII
00G939C83O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXYQUINIDINE
Common Name English
(3S)-3-HYDROXYQUINIDINE
Common Name English
(3S)-HYDROXYQUINIDINE
Common Name English
CINCHONAN-3,9-DIOL, 6'-METHOXY-, (9S)-
Systematic Name English
Code System Code Type Description
FDA UNII
00G939C83O
Created by admin on Sat Dec 16 09:48:38 GMT 2023 , Edited by admin on Sat Dec 16 09:48:38 GMT 2023
PRIMARY
CAS
53467-23-5
Created by admin on Sat Dec 16 09:48:38 GMT 2023 , Edited by admin on Sat Dec 16 09:48:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID601024742
Created by admin on Sat Dec 16 09:48:38 GMT 2023 , Edited by admin on Sat Dec 16 09:48:38 GMT 2023
PRIMARY
PUBCHEM
13217486
Created by admin on Sat Dec 16 09:48:38 GMT 2023 , Edited by admin on Sat Dec 16 09:48:38 GMT 2023
PRIMARY
Related Record Type Details
BINDER->LIGAND
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
Metabolite to parent drug ratio in non-uraemic human plasma.
METABOLITE TO PARENT DRUG RATIO
PLASMA; URINE