O-DESMETHYL DACOMITINIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H23ClFN5O2
Molecular Weight	455.912
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC2=C(C=C1NC(=O)\C=C\CN3CCCCC3)C(NC4=CC(Cl)=C(F)C=C4)=NC=N2

InChI

InChIKey=VFBCTMFFOJGSLU-SNAWJCMRSA-N

InChI=1S/C23H23ClFN5O2/c24-17-11-15(6-7-18(17)25)28-23-16-12-20(21(31)13-19(16)26-14-27-23)29-22(32)5-4-10-30-8-2-1-3-9-30/h4-7,11-14,31H,1-3,8-10H2,(H,29,32)(H,26,27,28)/b5-4+

HIDE SMILES / InChI

Molecular Formula	C23H23ClFN5O2
Molecular Weight	455.912
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:00:21 GMT 2025` Edited by `admin` on `Mon Mar 31 23:00:21 GMT 2025`
Record UNII	FSU0C3644U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DACOMITINIB METABOLITE M20

Preferred Name

English

O-DESMETHYL DACOMITINIB

Common Name

English

DACOMITINIB, O-DESMETHYL

Common Name

English

(E)-N-(4-(3-CHLORO-4-FLUORO-ANILINO)-7-HYDROXY-QUINAZOLIN-6-YL)-4-(1-PIPERIDYL)BUT-2-ENAMIDE

Systematic Name

English

PF-05199265

Common Name

English

Code System Code Type Description

PUBCHEM

136045759

Created by admin on Mon Mar 31 23:00:21 GMT 2025 , Edited by admin on Mon Mar 31 23:00:21 GMT 2025

PRIMARY

FDA UNII

FSU0C3644U

Created by admin on Mon Mar 31 23:00:21 GMT 2025 , Edited by admin on Mon Mar 31 23:00:21 GMT 2025

PRIMARY

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