N-DEALKYLATED LAPATINIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H20ClFN4O2
Molecular Weight	474.914
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NCC1=CC=C(O1)C2=CC=C3N=CN=C(NC4=CC=C(OCC5=CC=CC(F)=C5)C(Cl)=C4)C3=C2

InChI

InChIKey=NQHFMDSFFGTFSK-UHFFFAOYSA-N

InChI=1S/C26H20ClFN4O2/c27-22-12-19(5-8-25(22)33-14-16-2-1-3-18(28)10-16)32-26-21-11-17(4-7-23(21)30-15-31-26)24-9-6-20(13-29)34-24/h1-12,15H,13-14,29H2,(H,30,31,32)

HIDE SMILES / InChI

Molecular Formula	C26H20ClFN4O2
Molecular Weight	474.914
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 01:25:26 UTC 2023` Edited by `admin` on `Sat Dec 16 01:25:26 UTC 2023`
Record UNII	6MG3HT6C36
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DEALKYLATED LAPATINIB

Common Name

English

6-(5-(AMINOMETHYL)-2-FURYL)-N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)QUINAZOLIN-4-AMINE

Systematic Name

English

LAPATINIB METABOLITE M2 [MOLPHARM]

Common Name

English

4-QUINAZOLINAMINE, 6-(5-(AMINOMETHYL)-2-FURANYL)-N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-

Systematic Name

English

LAPATINIB METABOLITE M4 [DMD]

Common Name

English

(6-(5-AMINOMETHYLFURAN-2-YL)QUINAZOLIN-4-YL)(3-CHLORO-4-(3-FLUOROBENZYLOXY)PHENYL)AMINE

Systematic Name

English

Code System Code Type Description

CAS

697299-82-4

Created by admin on Sat Dec 16 01:25:26 UTC 2023 , Edited by admin on Sat Dec 16 01:25:26 UTC 2023

PRIMARY

EPA CompTox

DTXSID40620660

Created by admin on Sat Dec 16 01:25:26 UTC 2023 , Edited by admin on Sat Dec 16 01:25:26 UTC 2023

PRIMARY

FDA UNII

6MG3HT6C36

Created by admin on Sat Dec 16 01:25:26 UTC 2023 , Edited by admin on Sat Dec 16 01:25:26 UTC 2023

PRIMARY

PUBCHEM

21952026

Created by admin on Sat Dec 16 01:25:26 UTC 2023 , Edited by admin on Sat Dec 16 01:25:26 UTC 2023

PRIMARY

Related Record Type Details


					0VUA21238F

LAPATINIB

PARENT -> METABOLITE

Interaction Type:

MAJOR