N-DESMETHYL BOSUTINIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H27Cl2N5O3
Molecular Weight	516.42
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCNCC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl

InChI

InChIKey=WJNXCARNBUNEMQ-UHFFFAOYSA-N

InChI=1S/C25H27Cl2N5O3/c1-33-22-13-21(18(26)11-19(22)27)31-25-16(14-28)15-30-20-12-24(23(34-2)10-17(20)25)35-9-3-6-32-7-4-29-5-8-32/h10-13,15,29H,3-9H2,1-2H3,(H,30,31)

HIDE SMILES / InChI

Molecular Formula	C25H27Cl2N5O3
Molecular Weight	516.42
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 `Mon Mar 31 22:17:20 GMT 2025` Edited by `admin` on `Mon Mar 31 22:17:20 GMT 2025`
Record UNII	8870T6W3VG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BOSUTINIB METABOLITE M5

Preferred Name

English

N-DESMETHYL BOSUTINIB

Common Name

English

3-QUINOLINECARBONITRILE, 4-((2,4-DICHLORO-5-METHOXYPHENYL)AMINO)6-METHOXY-7-(3-(1-PIPERAZINYL)PROPOXY))

Systematic Name

English

Classification Tree Code System Code

NDF-RT

N0000175605

Created by admin on Mon Mar 31 22:17:20 GMT 2025 , Edited by admin on Mon Mar 31 22:17:20 GMT 2025

Code System Code Type Description

PUBCHEM

5328944

Created by admin on Mon Mar 31 22:17:20 GMT 2025 , Edited by admin on Mon Mar 31 22:17:20 GMT 2025

PRIMARY

FDA UNII

8870T6W3VG

Created by admin on Mon Mar 31 22:17:20 GMT 2025 , Edited by admin on Mon Mar 31 22:17:20 GMT 2025

PRIMARY

CAS

380843-81-2

Created by admin on Mon Mar 31 22:17:20 GMT 2025 , Edited by admin on Mon Mar 31 22:17:20 GMT 2025

PRIMARY

Related Record Type Details


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BOSUTINIB

METABOLITE INACTIVE -> PARENT

Amount: