Products 2413212-27-6

CAS 2413212-27-6 is the registry number for Afatinib Impurity 22. Offered by: Chemat Brand. Available pack sizes: on request.

Afatinib Impurity 22
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

2-(3-chloro-N-[6-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-7-[(3S)-oxolan-3-yl]oxyquinazolin-4-yl]-4-fluoroanilino)propanedioic acid (CAS 2413212-27-6) is a chemical compound with the molecular formula C27H27ClFN5O7 and a molecular weight of 588.0 g/mol. IUPAC name: 2-(3-chloro-N-[6-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-7-[(3S)-oxolan-3-yl]oxyquinazolin-4-yl]-4-fluoroanilino)propanedioic acid. InChIKey: USVQENIYOMXKKQ-CWDCEQMOSA-N.

Identity
Molecular formulaC27H27ClFN5O7
Molecular weight588.0 g/mol
IUPAC name2-(3-chloro-N-[6-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-7-[(3S)-oxolan-3-yl]oxyquinazolin-4-yl]-4-fluoroanilino)propanedioic acid
InChIKeyUSVQENIYOMXKKQ-CWDCEQMOSA-N
SMILESCN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)N(C3=CC(=C(C=C3)F)Cl)C(C(=O)O)C(=O)O)O[C@H]4CCOC4

Computed by PubChem (NCBI)