N-DESHYDROXYETHYL DASATINIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H22ClN7OS
Molecular Weight	443.953
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-DESHYDROXYETHYL DASATINIB

Structure Search

SMILES

CC1=NC(NC2=NC=C(S2)C(=O)NC3=C(Cl)C=CC=C3C)=CC(=N1)N4CCNCC4

InChI

InChIKey=DOBZFFWLHXORTB-UHFFFAOYSA-N

InChI=1S/C20H22ClN7OS/c1-12-4-3-5-14(21)18(12)27-19(29)15-11-23-20(30-15)26-16-10-17(25-13(2)24-16)28-8-6-22-7-9-28/h3-5,10-11,22H,6-9H2,1-2H3,(H,27,29)(H,23,24,25,26)

HIDE SMILES / InChI

Molecular Formula	C20H22ClN7OS
Molecular Weight	443.953
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:09:09 GMT 2023` Edited by `admin` on `Sat Dec 16 10:09:09 GMT 2023`
Record UNII	38T0L9673E
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

N-DESHYDROXYETHYL DASATINIB

Common Name

English

BMS-528691

Code

English

N-(2-CHLORO-6-METHYL-PHENYL)-2-((2-METHYL-6-PIPERAZIN-1-YL-PYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE

Systematic Name

English

N-DESHYDROXYETHYL DASATINIB METABOLITE M4

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60470341

Created by admin on Sat Dec 16 10:09:09 GMT 2023 , Edited by admin on Sat Dec 16 10:09:09 GMT 2023

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PUBCHEM

11669430

Created by admin on Sat Dec 16 10:09:09 GMT 2023 , Edited by admin on Sat Dec 16 10:09:09 GMT 2023

PRIMARY

CAS

910297-51-7

Created by admin on Sat Dec 16 10:09:09 GMT 2023 , Edited by admin on Sat Dec 16 10:09:09 GMT 2023

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FDA UNII

38T0L9673E

Created by admin on Sat Dec 16 10:09:09 GMT 2023 , Edited by admin on Sat Dec 16 10:09:09 GMT 2023

PRIMARY

Related Record Type Details


					X78UG0A0RN

DASATINIB ANHYDROUS

PARENT -> METABOLITE ACTIVE

Comments:

Metabolite M4 was approximately equipotent to dasatinib

Amount: