ChemicalBook--->CAS DataBase List--->1680184-59-1

1680184-59-1

1680184-59-1 Structure

1680184-59-1 Structure
IdentificationBack Directory
[Name]

Afatinib iMpurity
[CAS]

1680184-59-1
[Synonyms]

Cis-Afatinib
(2Z)-Afatinib
Afatinib iMpurity
Afatinib (Z)-Isomer
Afatinib Impurity B (2Z)-Afatinib
Afatinib Impurity 18((2Z) Afatinib)
1-(4-((3-chloro-4-fluorophenyl)amino)-7-(((S)-tetrahydrofuran-2-yl)oxy)quinazolin-6-yl)-5-hydroxypyrrolidin-2-one
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2Z)-
[Molecular Formula]

C24H25ClFN5O3
[MOL File]

1680184-59-1.mol
[Molecular Weight]

485.94
Chemical PropertiesBack Directory
[Melting point ]

>134°C (dec.)
[Boiling point ]

676.9±55.0 °C(Predicted)
[density ]

1.380±0.06 g/cm3(Predicted)
[storage temp. ]

Amber Vial, -20°C Freezer, Under inert atmosphere
[solubility ]

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

Solid
[pka]

11.79±0.43(Predicted)
[color ]

Pale Yellow to Light Yellow
[Stability:]

Light Sensitive
[InChIKey]

ULXXDDBFHOBEHA-QGZUEGPWSA-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
Hazard InformationBack Directory
[Uses]

(2Z)-Afatinib is a structural analogue 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.
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