4-Chloro-3-fluoro Afatinib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H25ClFN5O3
Molecular Weight	485.938
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(C)C\C=C\C(=O)NC1=CC2=C(C=C1O[C@H]3CCOC3)N=CN=C2NC4=CC(F)=C(Cl)C=C4

InChI

InChIKey=CIGJZGGVLAOLAG-CWDCEQMOSA-N

InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-18(25)19(26)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H25ClFN5O3
Molecular Weight	485.938
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 Dec 16 19:48:20 GMT 2023` Edited by `admin` on `Sat Dec 16 19:48:20 GMT 2023`
Record UNII	G6YTK9H6LE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Chloro-3-fluoro Afatinib

Common Name

English

Afatinib Impurity G

Common Name

English

N-[4-[(4-Chloro-3-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide

Common Name

English

2-Butenamide, N-[4-[(4-chloro-3-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-

Systematic Name

English

(2E)-N-[4-[(4-Chloro-3-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide

Systematic Name

English

(S,E)-N-(4-((4-Chloro-3-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide

Systematic Name

English

2-Butenamide, N-[4-[(4-chloro-3-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2E)-

Systematic Name

English

Code System Code Type Description

CAS

2406199-31-1

Created by admin on Sat Dec 16 19:48:20 GMT 2023 , Edited by admin on Sat Dec 16 19:48:20 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

G6YTK9H6LE

Created by admin on Sat Dec 16 19:48:20 GMT 2023 , Edited by admin on Sat Dec 16 19:48:20 GMT 2023

PRIMARY

CAS

2475094-87-0

Created by admin on Sat Dec 16 19:48:20 GMT 2023 , Edited by admin on Sat Dec 16 19:48:20 GMT 2023

PRIMARY

PUBCHEM

154631180

Created by admin on Sat Dec 16 19:48:20 GMT 2023 , Edited by admin on Sat Dec 16 19:48:20 GMT 2023

PRIMARY