N-Boc-N-deshydroxyethyl Dasatinib

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H30ClN7O3S
Molecular Weight	544.069
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-Boc-N-deshydroxyethyl Dasatinib

Structure Search

SMILES

CC1=NC(NC2=NC=C(S2)C(=O)NC3=C(Cl)C=CC=C3C)=CC(=N1)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChIKey=CJIZAWDYZXXVSM-UHFFFAOYSA-N

InChI=1S/C25H30ClN7O3S/c1-15-7-6-8-17(26)21(15)31-22(34)18-14-27-23(37-18)30-19-13-20(29-16(2)28-19)32-9-11-33(12-10-32)24(35)36-25(3,4)5/h6-8,13-14H,9-12H2,1-5H3,(H,31,34)(H,27,28,29,30)

HIDE SMILES / InChI

Molecular Formula	C25H30ClN7O3S
Molecular Weight	544.069
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 `Wed Apr 02 21:17:52 GMT 2025` Edited by `admin` on `Wed Apr 02 21:17:52 GMT 2025`
Record UNII	M956F2TDG9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AC-30420

Preferred Name

English

N-Boc-N-deshydroxyethyl Dasatinib

Common Name

English

1-Piperazinecarboxylic acid, 4-[6-[[5-[[(2-chloro-6-methylphenyl)amino]carbonyl]-2-thiazolyl]amino]-2-methyl-4-pyrimidinyl]-, 1,1-dimethylethyl ester

Systematic Name

English

1,1-Dimethylethyl 4-[6-[[5-[[(2-chloro-6-methylphenyl)amino]carbonyl]-2-thiazolyl]amino]-2-methyl-4-pyrimidinyl]-1-piperazinecarboxylate

Systematic Name

English

Code System Code Type Description

FDA UNII

M956F2TDG9

Created by admin on Wed Apr 02 21:17:52 GMT 2025 , Edited by admin on Wed Apr 02 21:17:52 GMT 2025

PRIMARY

CAS

1159977-13-5

Created by admin on Wed Apr 02 21:17:52 GMT 2025 , Edited by admin on Wed Apr 02 21:17:52 GMT 2025

PRIMARY

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