Bosutinib N-oxide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H29Cl2N5O4
Molecular Weight	546.446
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C(C=C1OCCCN3CC[N+](C)([O-])CC3)N=CC(C#N)=C2NC4=CC(OC)=C(Cl)C=C4Cl

InChI

InChIKey=KQPXXSISZAWYME-UHFFFAOYSA-N

InChI=1S/C26H29Cl2N5O4/c1-33(34)8-6-32(7-9-33)5-4-10-37-25-13-21-18(11-24(25)36-3)26(17(15-29)16-30-21)31-22-14-23(35-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)

HIDE SMILES / InChI

Molecular Formula	C26H29Cl2N5O4
Molecular Weight	546.446
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 19:27:33 GMT 2023` Edited by `admin` on `Sat Dec 16 19:27:33 GMT 2023`
Record UNII	44Q2GL64W7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Bosutinib N-oxide

Common Name

English

4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-4-oxido-1-piperazinyl)propoxy]-3-quinolinecarbonitrile

Systematic Name

English

3-Quinolinecarbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-4-oxido-1-piperazinyl)propoxy]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

76974365

Created by admin on Sat Dec 16 19:27:33 GMT 2023 , Edited by admin on Sat Dec 16 19:27:33 GMT 2023

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CAS

2468737-96-2

Created by admin on Sat Dec 16 19:27:33 GMT 2023 , Edited by admin on Sat Dec 16 19:27:33 GMT 2023

PRIMARY

FDA UNII

44Q2GL64W7

Created by admin on Sat Dec 16 19:27:33 GMT 2023 , Edited by admin on Sat Dec 16 19:27:33 GMT 2023

PRIMARY