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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24FN3O2S.C4H6O4
Molecular Weight 507.575
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VENGLUSTAT SUCCINATE

SMILES

OC(=O)CCC(O)=O.CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)C3=CSC(=N3)C4=CC=C(F)C=C4

InChI

InChIKey=TWRYSLPYKQOKAO-PKLMIRHRSA-N
InChI=1S/C20H24FN3O2S.C4H6O4/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24;5-3(6)1-2-4(7)8/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25);1-2H2,(H,5,6)(H,7,8)/t16-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
VENGLUSTAT SUCCINATE
Common Name English
BUTANEDIOIC ACID, COMPD. WITH (3S)-1-AZABICYCLO(2.2.2)OCT-3-YL N-(1-(2-(4-FLUOROPHENYL)-4-THIAZOLYL)-1-METHYLETHYL)CARBAMATE (1:1)
Systematic Name English
IBIGLUSTAT SUCCINATE
Common Name English
Code System Code Type Description
SMS_ID
100000177470
Created by admin on Fri Dec 15 15:55:39 UTC 2023 , Edited by admin on Fri Dec 15 15:55:39 UTC 2023
PRIMARY
EVMPD
SUB192873
Created by admin on Fri Dec 15 15:55:39 UTC 2023 , Edited by admin on Fri Dec 15 15:55:39 UTC 2023
PRIMARY
FDA UNII
XW65IGE2BT
Created by admin on Fri Dec 15 15:55:39 UTC 2023 , Edited by admin on Fri Dec 15 15:55:39 UTC 2023
PRIMARY
PUBCHEM
91618117
Created by admin on Fri Dec 15 15:55:39 UTC 2023 , Edited by admin on Fri Dec 15 15:55:39 UTC 2023
PRIMARY
CAS
1629063-80-4
Created by admin on Fri Dec 15 15:55:39 UTC 2023 , Edited by admin on Fri Dec 15 15:55:39 UTC 2023
PRIMARY