ABT-299 CATION

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H28FN4O4S
Molecular Weight	583.653
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

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=QWJUQXUPQOVZHR-WJOKGBTCSA-N

InChI=1S/C32H28FN4O4S/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/q+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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:44:34 GMT 2023` Edited by `admin` on `Sat Dec 16 12:44:34 GMT 2023`
Record UNII	NL100VQR8T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABT-299 CATION

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

NL100VQR8T

Created by admin on Sat Dec 16 12:44:34 GMT 2023 , Edited by admin on Sat Dec 16 12:44:34 GMT 2023

PRIMARY

PUBCHEM

9830504

Created by admin on Sat Dec 16 12:44:34 GMT 2023 , Edited by admin on Sat Dec 16 12:44:34 GMT 2023

PRIMARY

CAS

172174-30-0

Created by admin on Sat Dec 16 12:44:34 GMT 2023 , Edited by admin on Sat Dec 16 12:44:34 GMT 2023

PRIMARY

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