ABT-299

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H28FN4O4S.Cl
Molecular Weight	619.106
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].CN(C)C(=O)N1C=C(C(=O)C2=C3CS[C@@H](N3C=C2)C4=C[N+](COC(C)=O)=CC=C4)C5=C1C=C(C=C5)C6=CC=C(F)C=C6

InChI

InChIKey=NKIONDJYXPXFFL-JSSVAETHSA-M

InChI=1S/C32H28FN4O4S.ClH/c1-20(38)41-19-35-13-4-5-23(16-35)31-36-14-12-26(29(36)18-42-31)30(39)27-17-37(32(40)34(2)3)28-15-22(8-11-25(27)28)21-6-9-24(33)10-7-21;/h4-17,31H,18-19H2,1-3H3;1H/q+1;/p-1/t31-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C32H28FN4O4S
Molecular Weight	583.653
Charge	1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
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 `Sat Dec 16 18:30:23 GMT 2023` Edited by `admin` on `Sat Dec 16 18:30:23 GMT 2023`
Record UNII	742QGP819Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABT-299

Common Name

English

PYRIDINIUM, 1-((ACETYLOXY)METHYL)-3-((3R)-7-((1-((DIMETHYLAMINO)CARBONYL)-6-(4-FLUOROPHENYL)-1H-INDOL-3-YL)CARBONYL)-1H,3H-PYRROLO(1,2-C)THIAZOL-3-YL)-, CHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

742QGP819Q

Created by admin on Sat Dec 16 18:30:24 GMT 2023 , Edited by admin on Sat Dec 16 18:30:24 GMT 2023

PRIMARY

CAS

161395-35-3

Created by admin on Sat Dec 16 18:30:24 GMT 2023 , Edited by admin on Sat Dec 16 18:30:24 GMT 2023

PRIMARY

PUBCHEM

9830503

Created by admin on Sat Dec 16 18:30:24 GMT 2023 , Edited by admin on Sat Dec 16 18:30:24 GMT 2023

PRIMARY

Related Record Type Details


					NL100VQR8T

ABT-299 CATION

PARENT -> SALT/SOLVATE