Ivosidenib Isonicotinamide

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 Search

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

Molecular Formula	C28H24ClF3N6O4
Molecular Weight	600.976
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:22:59 GMT 2023` Edited by `admin` on `Sat Dec 16 19:22:59 GMT 2023`
Record UNII	2DC7RWZ67X
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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