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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N2O2.ClH
Molecular Weight 360.878
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUININE HYDROCHLORIDE ANHYDROUS

SMILES

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

InChI

InChIKey=LBSFSRMTJJPTCW-DSXUQNDKSA-N
InChI=1S/C20H24N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H/t13-,14-,19-,20+;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H24N2O2
Molecular Weight 324.4168
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:45:49 UTC 2023
Edited
by admin
on Fri Dec 15 16:45:49 UTC 2023
Record UNII
7CS0WNO31M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUININE HYDROCHLORIDE ANHYDROUS
Common Name English
QUININE HYDROCHLORIDE [FHFI]
Common Name English
Quinine hydrochloride [WHO-DD]
Common Name English
ANHYDROUS QUININE HYDROCHLORIDE
Common Name English
QUININE MURIATE
Common Name English
QUININE HYDROCHLORIDE ANHYDROUS [MI]
Common Name English
FEMA NO. 2976
Code English
(8.ALPHA.,9R)-6'-METHOXYCINCHONAN-9-OL HYDROCHLORIDE
Common Name English
QUININE MONOHYDROCHLORIDE ANHYDROUS
Common Name English
Classification Tree Code System Code
CFR 21 CFR 310.547
Created by admin on Fri Dec 15 16:45:49 UTC 2023 , Edited by admin on Fri Dec 15 16:45:49 UTC 2023
NCI_THESAURUS C271
Created by admin on Fri Dec 15 16:45:49 UTC 2023 , Edited by admin on Fri Dec 15 16:45:49 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
205-001-1
Created by admin on Fri Dec 15 16:45:49 UTC 2023 , Edited by admin on Fri Dec 15 16:45:49 UTC 2023
PRIMARY
CAS
130-89-2
Created by admin on Fri Dec 15 16:45:49 UTC 2023 , Edited by admin on Fri Dec 15 16:45:49 UTC 2023
PRIMARY
FDA UNII
7CS0WNO31M
Created by admin on Fri Dec 15 16:45:49 UTC 2023 , Edited by admin on Fri Dec 15 16:45:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID7044213
Created by admin on Fri Dec 15 16:45:49 UTC 2023 , Edited by admin on Fri Dec 15 16:45:49 UTC 2023
PRIMARY
NCI_THESAURUS
C90739
Created by admin on Fri Dec 15 16:45:49 UTC 2023 , Edited by admin on Fri Dec 15 16:45:49 UTC 2023
PRIMARY
MERCK INDEX
m9447
Created by admin on Fri Dec 15 16:45:49 UTC 2023 , Edited by admin on Fri Dec 15 16:45:49 UTC 2023
PRIMARY
PUBCHEM
91558
Created by admin on Fri Dec 15 16:45:49 UTC 2023 , Edited by admin on Fri Dec 15 16:45:49 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY