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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H18ClNO6
Molecular Weight 367.781
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUINCARBATE, (S)-

SMILES

CCOC[C@H]1COC2=C(Cl)C3=C(NC=C(C(=O)OCC)C3=O)C=C2O1

InChI

InChIKey=AZOPNLGKZVSIIQ-VIFPVBQESA-N
InChI=1S/C17H18ClNO6/c1-3-22-7-9-8-24-16-12(25-9)5-11-13(14(16)18)15(20)10(6-19-11)17(21)23-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20)/t9-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
QUINCARBATE, (S)-
Common Name English
1,4-DIOXINO(2,3-G)QUINOLINE-8-CARBOXYLIC ACID, 10-CHLORO-3-(ETHOXYMETHYL)-2,3,6,9-TETRAHYDRO-9-OXO-, ETHYL ESTER, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76964992
Created by admin on Sat Dec 16 11:25:06 GMT 2023 , Edited by admin on Sat Dec 16 11:25:06 GMT 2023
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FDA UNII
3FK1ME1Y02
Created by admin on Sat Dec 16 11:25:06 GMT 2023 , Edited by admin on Sat Dec 16 11:25:06 GMT 2023
PRIMARY