DEFACTINIB HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H21F3N8O3S.ClH
Molecular Weight	546.954
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CNC(=O)C1=CC=C(NC2=NC=C(C(NCC3=NC=CN=C3N(C)S(C)(=O)=O)=N2)C(F)(F)F)C=C1

InChI

InChIKey=RCHQNUQAHJNRBY-UHFFFAOYSA-N

InChI=1S/C20H21F3N8O3S.ClH/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34;/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30);1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C20H21F3N8O3S
Molecular Weight	510.493
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:46:44 UTC 2023` Edited by `admin` on `Sat Dec 16 01:46:44 UTC 2023`
Record UNII	L2S469LM49
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEFACTINIB HYDROCHLORIDE

Official Name

English

VS-6063 HYDROCHLORIDE

Code

English

BENZAMIDE, N-METHYL-4-((4-(((3-(METHYL(METHYLSULFONYL)AMINO)-2-PYRAZINYL)METHYL)AMINO)-5-(TRIFLUOROMETHYL)-2-PYRIMIDINYL)AMINO)-, HYDROCHLORIDE (1:1)

Systematic Name

English

N-Methyl-4-({4-[({3-[methyl(methylsulfonyl)amino]pyrazin-2-yl}methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)benzamide monohydrochloride

Systematic Name

English

N-METHYL-4-((4-(((3-METHYL(METHYLSULFONYL)AMINOPYRAZIN-2-YL)METHYL)AMINO)-5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL)AMINO)BENZAMIDE HYDROCHLORIDE

Systematic Name

English

N-METHYL-4-((4-(((3-METHYL(METHYLSULFONYL)AMINO)PYRAZIN-2-YL)METHYL)AMINO)-5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL)AMINO)BENZAMIDE HYDROCHLORIDE

Systematic Name

English

Defactinib hydrochloride [WHO-DD]

Common Name

English

DEFACTINIB HYDROCHLORIDE [USAN]

Common Name

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/14/1429