O-DEALKYLATED LAPATINIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H21ClN4O4S
Molecular Weight	472.945
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(Cl)=C(O)C=C4

InChI

InChIKey=SVTCWAMLLWYBEI-UHFFFAOYSA-N

InChI=1S/C22H21ClN4O4S/c1-32(29,30)9-8-24-12-16-4-7-21(31-16)14-2-5-19-17(10-14)22(26-13-25-19)27-15-3-6-20(28)18(23)11-15/h2-7,10-11,13,24,28H,8-9,12H2,1H3,(H,25,26,27)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

LAPATINIB METABOLITE M1

Preferred Name

English

O-DEALKYLATED LAPATINIB

Common Name

English

PHENOL, 2-CHLORO-4-((6-(5-(((2-(METHYLSULFONYL)ETHYL)AMINO)METHYL)-2-FURANYL)-4-QUINAZOLINYL)AMINO)-

Systematic Name

English

2-CHLORO-4-((6-(5-((2-METHYLSULFONYLETHYLAMINO)METHYL)-2-FURYL)QUINAZOLIN-4-YL)AMINO)PHENOL

Systematic Name

English

Code System Code Type Description

PUBCHEM

71315271

Created by admin on Mon Mar 31 22:02:37 GMT 2025 , Edited by admin on Mon Mar 31 22:02:37 GMT 2025

PRIMARY

CAS

1268997-70-1

Created by admin on Mon Mar 31 22:02:37 GMT 2025 , Edited by admin on Mon Mar 31 22:02:37 GMT 2025

PRIMARY

FDA UNII

8PL9CEZ8WK

Created by admin on Mon Mar 31 22:02:37 GMT 2025 , Edited by admin on Mon Mar 31 22:02:37 GMT 2025

PRIMARY

PARENT (METABOLITE TOXIC)


					0VUA21238F

Lapatinib

SUBSTANCE RECORD


					8PL9CEZ8WK

O-DEALKYLATED LAPATINIB