N-DESMETHYL AFATINIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H23ClFN5O3
Molecular Weight	471.9126
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC/C(/[H])=C(\[H])/C(=Nc1cc2c(cc1O[C@@]3([H])CCOC3)ncnc2Nc4ccc(c(c4)Cl)F)O

InChI

InChIKey=XMAATFWFFWESFY-FAAWYNLUSA-N

InChI=1S/C23H23ClFN5O3/c1-26-7-2-3-22(31)30-20-10-16-19(11-21(20)33-15-6-8-32-12-15)27-13-28-23(16)29-14-4-5-18(25)17(24)9-14/h2-5,9-11,13,15,26H,6-8,12H2,1H3,(H,30,31)(H,27,28,29)/b3-2+/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H23ClFN5O3
Molecular Weight	471.9126
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Jun 26 00:06:00 UTC 2021` Edited by `admin` on `Sat Jun 26 00:06:00 UTC 2021`
Record UNII	43KI824L19
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESMETHYL AFATINIB

Common Name

English

AFATINIB METABOLITE M10

Common Name

English

Code System Code Type Description

PUBCHEM

92135819

Created by admin on Sat Jun 26 00:06:00 UTC 2021 , Edited by admin on Sat Jun 26 00:06:00 UTC 2021

PRIMARY

FDA UNII

43KI824L19

Created by admin on Sat Jun 26 00:06:00 UTC 2021 , Edited by admin on Sat Jun 26 00:06:00 UTC 2021

PRIMARY

Related Record Type Details


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AFATINIB

PARENT -> METABOLITE LESS ACTIVE