VENGLUSTAT SUCCINATE

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 Search

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

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	C4H6O4
Molecular Weight	118.088
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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	XW65IGE2BT
Record Status	`Validated (UNII)`
Record Version

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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