A-85783

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H23FN4O2S
Molecular Weight	510.582
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(C)C(=O)N1C=C(C(=O)C2=C3CS[C@@H](N3C=C2)C4=CC=CN=C4)C5=C1C=C(C=C5)C6=CC=C(F)C=C6

InChI

InChIKey=YGUVFPOGHIKVPP-MUUNZHRXSA-N

InChI=1S/C29H23FN4O2S/c1-32(2)29(36)34-16-24(22-10-7-19(14-25(22)34)18-5-8-21(30)9-6-18)27(35)23-11-13-33-26(23)17-37-28(33)20-4-3-12-31-15-20/h3-16,28H,17H2,1-2H3/t28-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

A-85783

Common Name

English

(R)-6-(4-FLUOROPHENYL)-N,N-DIMETHYL-3-(3-(3-PYRIDINYL)-1H,3H-PYRROLO(1,2-C)THIAZOL-7-YL)CARBONYL-1H-INDOLE-1-CARBOXAMIDE

Preferred Name

English

1H-INDOLE-1-CARBOXAMIDE, 6-(4-FLUOROPHENYL)-N,N-DIMETHYL-3-(((3R)-3-(3-PYRIDINYL)-1H,3H-PYRROLO(1,2-C)THIAZOL-7-YL)CARBONYL)-

Systematic Name

English

Code System Code Type Description

CAS

161395-33-1

Created by admin on Tue Apr 01 19:43:03 GMT 2025 , Edited by admin on Tue Apr 01 19:43:03 GMT 2025

PRIMARY

PUBCHEM

9957997

Created by admin on Tue Apr 01 19:43:03 GMT 2025 , Edited by admin on Tue Apr 01 19:43:03 GMT 2025

PRIMARY

EPA CompTox

DTXSID20433311

Created by admin on Tue Apr 01 19:43:03 GMT 2025 , Edited by admin on Tue Apr 01 19:43:03 GMT 2025

PRIMARY

FDA UNII

OCS3J46F47

Created by admin on Tue Apr 01 19:43:03 GMT 2025 , Edited by admin on Tue Apr 01 19:43:03 GMT 2025

PRIMARY

ACTIVE MOIETY


					OCS3J46F47

A-85783

PRODRUG (METABOLITE ACTIVE)


					NL100VQR8T

ABT-299 CATION