ChemicalBook--->CAS DataBase List--->945553-91-3

945553-91-3

945553-91-3 Structure

945553-91-3 Structure
IdentificationBack Directory
[Name]

R-afatinib
[CAS]

945553-91-3
[Synonyms]

Afatinib-2
Afatinib Enantiomer
afatinib impurities139
AFATINIB CHIRAL IMPURITY
(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3R)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-
(R,E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetra- hydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino) but-2-enamide
(R,E)-N-(4-((3-Chloro-4- fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinozolin- 6-yl)-4-(dimethylamino)but-2-enamide
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3R)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2E)-
(R,E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide? (Afatinib Impurity)
Afatinib impurity 3/R-afatinib/(2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3R)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide
[Molecular Formula]

C24H25ClFN5O3
[MOL File]

945553-91-3.mol
[Molecular Weight]

485.94
Chemical PropertiesBack Directory
[Boiling point ]

676.9±55.0 °C(Predicted)
[density ]

1.380±0.06 g/cm3(Predicted)
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

11.79±0.43(Predicted)
[color ]

Pale Beige to Pale Brown
[InChIKey]

ULXXDDBFHOBEHA-QDLOVBKTSA-N
[SMILES]

C(NC1C(O[C@@H]2CCOC2)=CC2C(C=1)=C(NC1=CC=C(F)C(Cl)=C1)N=CN=2)(=O)/C=C/CN(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Uses]

(2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3R)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide, is an impurity of Afatinib (A355300) an aminocrotonylamino-substituted quinazoline derivative used for treating cancer and diseases of the respiratory tract, lungs, gastrointestinal tract, bile duct, and gallbladder.
Spectrum DetailBack Directory
[Spectrum Detail]

R-afatinib(945553-91-3)1HNMR
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