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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 of ABT-299

SMILES

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

Approval Year

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)
Preferred Name English
Code System Code Type Description
FDA UNII
742QGP819Q
Created by admin on Wed Apr 02 11:22:21 GMT 2025 , Edited by admin on Wed Apr 02 11:22:21 GMT 2025
PRIMARY
CAS
161395-35-3
Created by admin on Wed Apr 02 11:22:21 GMT 2025 , Edited by admin on Wed Apr 02 11:22:21 GMT 2025
PRIMARY
PUBCHEM
9830503
Created by admin on Wed Apr 02 11:22:21 GMT 2025 , Edited by admin on Wed Apr 02 11:22:21 GMT 2025
PRIMARY