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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24FN3O2S.C4H6O5
Molecular Weight 523.574
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VENGLUSTAT MALATE

SMILES

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

InChI

InChIKey=SQXUKOJKIWCALK-AAXLQGCPSA-N
InChI=1S/C20H24FN3O2S.C4H6O5/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;5-2(4(8)9)1-3(6)7/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25);2,5H,1H2,(H,6,7)(H,8,9)/t16-;2-/m10/s1

HIDE SMILES / InChI

Molecular Formula C20H24FN3O2S
Molecular Weight 389.487
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C4H6O5
Molecular Weight 134.0874
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:55:39 UTC 2023
Edited
by admin
on Fri Dec 15 15:55:39 UTC 2023
Record UNII
94855LQZ8D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VENGLUSTAT MALATE
USAN  
Official Name English
GZ/SAR-402671A
Code English
GZ/SAR402671A
Code English
VENGLUSTAT MALATE [USAN]
Common Name English
BUTANEDIOIC ACID, 2-HYDROXY-, (2S)-, 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
VENGLUSTAT L-MALATE
Common Name English
(2S)-2-HYDROXYBUTANEDIOIC ACID - (3S)-1- AZABICYCLO(2.2.2)OCT-3-YL (2-(2-(4-FLUOROPHENYL)-1,3-THIAZOL-4-YL)PROPAN-2-YL) CARBAMATE
Systematic Name English
IBIGLUSTAT L-MALATE
Common Name English
SAR-402671 L-MALATE
Code English
GENZ-682452-AU
Code English
SAR402671A
Code English
SAR-402671A
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 755820
Created by admin on Fri Dec 15 15:55:39 UTC 2023 , Edited by admin on Fri Dec 15 15:55:39 UTC 2023
Code System Code Type Description
USAN
GH-117
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
SUB192872
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
SMS_ID
100000177469
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
NCI_THESAURUS
C171783
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
1629063-78-0
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
94855LQZ8D
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
60199241
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
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY