Ivosidenib, (R,S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H22ClF3N6O3
Molecular Weight	582.961
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

FC1=CC(=CN=C1)N([C@@H](C(=O)NC2CC(F)(F)C2)C3=C(Cl)C=CC=C3)C(=O)[C@@H]4CCC(=O)N4C5=CC(=CC=N5)C#N

InChI

InChIKey=WIJZXSAJMHAVGX-WIOPSUGQSA-N

InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H22ClF3N6O3
Molecular Weight	582.961
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 19:16:16 GMT 2023` Edited by `admin` on `Sat Dec 16 19:16:16 GMT 2023`
Record UNII	NDE4ELL9MX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ivosidenib, (R,S)-

Common Name

English

2-Pyrrolidinecarboxamide, N-[(1R)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-5-oxo-, (2S)-

Systematic Name

English

(S)-N-((R)-1-(2-chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide

Systematic Name

English

(2R)-2-(2-chlorophenyl)-2-{1-[(2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidin-2-yl]-N-(5-fluoropyridin-3-yl)formamido}-N-(3,3-difluorocyclobutyl)acetamide

Systematic Name

English

(R,S)-Ivosidenib

Common Name

English

Code System Code Type Description

PUBCHEM

121230976

Created by admin on Sat Dec 16 19:16:16 GMT 2023 , Edited by admin on Sat Dec 16 19:16:16 GMT 2023

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CAS

2070009-31-1

Created by admin on Sat Dec 16 19:16:16 GMT 2023 , Edited by admin on Sat Dec 16 19:16:16 GMT 2023

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FDA UNII

NDE4ELL9MX

Created by admin on Sat Dec 16 19:16:16 GMT 2023 , Edited by admin on Sat Dec 16 19:16:16 GMT 2023

PRIMARY