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Afatinib-[d4]

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General Information
Catalog: BLP-003532
Molecular Formula: C24H21D4ClFN5O3
Molecular Weight: 489.97

Chemical Structure

Description	Labelled Afatinib. Afatinib is a medication approved for the treatment of metastatic non-small cell lung cancer (NSCLC) that has certain EGFR mutations. It acts via inhibiting EGFR and HER2.
Synonyms	(2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide; BIBW 2992
IUPAC Name	(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-2,2,5,5-tetradeuteriooxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
Related CAS	850140-72-6 (unlabelled)
Canonical SMILES	CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4
InChI	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)29-15-5-6-19(26)18(25)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/i9D2,13D2
InChI Key	ULXXDDBFHOBEHA-YVZQKSMPSA-N
Purity	> 98%
Appearance	Solid Powder
Storage	-20°C