OXYDECHLORINATED BOSUTINIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H30ClN5O4
Molecular Weight	512.001
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(O)C=C(Cl)C(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C1

InChI

InChIKey=OFBQZZFEXFRYQW-UHFFFAOYSA-N

InChI=1S/C26H30ClN5O4/c1-31-6-8-32(9-7-31)5-4-10-36-25-13-20-18(11-24(25)35-3)26(17(15-28)16-29-20)30-21-14-23(34-2)22(33)12-19(21)27/h11-14,16,33H,4-10H2,1-3H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula	C26H30ClN5O4
Molecular Weight	512.001
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 09:48:17 UTC 2023` Edited by `admin` on `Sat Dec 16 09:48:17 UTC 2023`
Record UNII	ESC667086F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OXYDECHLORINATED BOSUTINIB

Common Name

English

BOSUTINIB METABOLITE M2

Common Name

English

4-((2-CHLORO-4-HYDROXY-5-METHOXYPHENYL)AMINO)-6-METHOXY-7-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)QUINOLINE-3-CARBONITRILE

Systematic Name

English

Code System Code Type Description

PUBCHEM

76974363

Created by admin on Sat Dec 16 09:48:17 UTC 2023 , Edited by admin on Sat Dec 16 09:48:17 UTC 2023

PRIMARY

FDA UNII

ESC667086F

Created by admin on Sat Dec 16 09:48:17 UTC 2023 , Edited by admin on Sat Dec 16 09:48:17 UTC 2023

PRIMARY

Related Record Type Details


					5018V4AEZ0

BOSUTINIB

METABOLITE INACTIVE -> PARENT