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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N2O2.C13H17N3O4S
Molecular Weight 635.774
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METAMIZOLE QUININE

SMILES

CN(CS(O)(=O)=O)C1=C(C)N(C)N(C1=O)C2=CC=CC=C2.COC3=CC4=C(C=C3)N=CC=C4[C@@H](O)[C@@H]5C[C@@H]6CC[N@]5C[C@@H]6C=C

InChI

InChIKey=QAMWRMRIYODDLR-VCZKLPRJSA-N
InChI=1S/C20H24N2O2.C13H17N3O4S/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;1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;4-8H,9H2,1-3H3,(H,18,19,20)/t13-,14+,19-,20+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Metamizole quinine [WHO-DD]
Preferred Name English
METAMIZOLE QUININE
Common Name English
METHANESULFONIC ACID, ((2,3-DIHYDRO-1,5-DIMETHYL-3-OXO-2-PHENYL-1H-PYRAZOL-4-YL)METHYLAMINO)-, COMPD. WITH (8.ALPHA.,9R)-6'-METHOXYCINCHONAN-9-OL (1:1)
Systematic Name English
(8ALPHA,9R)-6'-METHOXYCINCHONAN-9-OL, SALT WITH ((2,3-DIHYDRO-1,5-DIMETHYL-3-OXO-2-PHENYL-1H-PYRAZOL-4-YL)METHYLAMINO)METHANESULPHONIC ACID (1:1)
Systematic Name English
CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9R)-, MONO(((2,3-DIHYDRO-1,5-DIMETHYL-3-OXO-2-PHENYL-1H-PYRAZOL-4-YL)METHYLAMINO)METHANESULFONATE) (SALT)
Systematic Name English
Code System Code Type Description
CAS
97259-64-8
Created by admin on Tue Apr 01 21:53:45 GMT 2025 , Edited by admin on Tue Apr 01 21:53:45 GMT 2025
PRIMARY
FDA UNII
C6V3NP5052
Created by admin on Tue Apr 01 21:53:45 GMT 2025 , Edited by admin on Tue Apr 01 21:53:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID40242826
Created by admin on Tue Apr 01 21:53:45 GMT 2025 , Edited by admin on Tue Apr 01 21:53:45 GMT 2025
PRIMARY
PUBCHEM
139593422
Created by admin on Tue Apr 01 21:53:45 GMT 2025 , Edited by admin on Tue Apr 01 21:53:45 GMT 2025
PRIMARY