U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H24ClF3N6O4
Molecular Weight 600.976
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ivosidenib Isonicotinamide

SMILES

NC(=O)C1=CC=NC(=C1)N2[C@@H](CCC2=O)C(=O)N([C@H](C(=O)NC3CC(F)(F)C3)C4=C(Cl)C=CC=C4)C5=CN=CC(F)=C5

InChI

InChIKey=CCBCXDNWCNZNPW-URXFXBBRSA-N
InChI=1S/C28H24ClF3N6O4/c29-20-4-2-1-3-19(20)24(26(41)36-17-11-28(31,32)12-17)37(18-10-16(30)13-34-14-18)27(42)21-5-6-23(39)38(21)22-9-15(25(33)40)7-8-35-22/h1-4,7-10,13-14,17,21,24H,5-6,11-12H2,(H2,33,40)(H,36,41)/t21-,24-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Ivosidenib Isonicotinamide
Common Name English
Code System Code Type Description
CAS
2408269-64-5
Created by admin on Sat Dec 16 19:22:59 GMT 2023 , Edited by admin on Sat Dec 16 19:22:59 GMT 2023
PRIMARY
PUBCHEM
155782723
Created by admin on Sat Dec 16 19:22:59 GMT 2023 , Edited by admin on Sat Dec 16 19:22:59 GMT 2023
PRIMARY
FDA UNII
2DC7RWZ67X
Created by admin on Sat Dec 16 19:22:59 GMT 2023 , Edited by admin on Sat Dec 16 19:22:59 GMT 2023
PRIMARY