3-Desfluoro 2-Fluoro Lapatinib

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H26ClFN4O4S
Molecular Weight	581.058
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Desfluoro 2-Fluoro Lapatinib

Structure Search

SMILES

CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(Cl)=C(OCC5=C(F)C=CC=C5)C=C4

InChI

InChIKey=AUSNUFCAWIGPSG-UHFFFAOYSA-N

InChI=1S/C29H26ClFN4O4S/c1-40(36,37)13-12-32-16-22-8-11-27(39-22)19-6-9-26-23(14-19)29(34-18-33-26)35-21-7-10-28(24(30)15-21)38-17-20-4-2-3-5-25(20)31/h2-11,14-15,18,32H,12-13,16-17H2,1H3,(H,33,34,35)

HIDE SMILES / InChI

Molecular Formula	C29H26ClFN4O4S
Molecular Weight	581.058
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 19:52:06 GMT 2023` Edited by `admin` on `Sat Dec 16 19:52:06 GMT 2023`
Record UNII	J8FB84Y5C8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Desfluoro 2-Fluoro Lapatinib

Common Name

English

4-Quinazolinamine, N-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-

Systematic Name

English

Lapatinib Impurity 5

Common Name

English

N-[3-Chloro-4-[(2-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamine

Systematic Name

English

N-(3-Chloro-4-((2-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amine

Systematic Name

English

Code System Code Type Description

CAS

1393112-45-2

Created by admin on Sat Dec 16 19:52:06 GMT 2023 , Edited by admin on Sat Dec 16 19:52:06 GMT 2023

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PUBCHEM

68178766

Created by admin on Sat Dec 16 19:52:06 GMT 2023 , Edited by admin on Sat Dec 16 19:52:06 GMT 2023

PRIMARY

FDA UNII

J8FB84Y5C8

Created by admin on Sat Dec 16 19:52:06 GMT 2023 , Edited by admin on Sat Dec 16 19:52:06 GMT 2023

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