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Desmethyl Erlotinib-[d4]

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General Information
Catalog: BLP-003688
CAS: 1216420-11-9
Molecular Formula: C21H17D4N3O4
Molecular Weight: 383.44

Chemical Structure

Description	Desmethyl Erlotinib-[d4], is an isotope labelled derivative of Desmethyl Erlotinib, which is a metabolite of Erlotinib. Erlotinib is a medication used to treat non-small cell lung cancer and pancreatic cancer.
Synonyms	2-[[4-[(3-Ethynylphenyl-d4)amino]-7-(2-methoxyethoxy)-6-quinazolinyl]oxy]ethanol; OSI-420-d4, Free Base; Desmethyl Erlotinib-d4
IUPAC Name	2-[7-(2-methoxyethoxy)-4-(2,3,4,6-tetradeuterio-5-ethynylanilino)quinazolin-6-yl]oxyethanol
Related CAS	183321-86-0 (unlabelled)
Canonical SMILES	COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCO
InChI	InChI=1S/C21H21N3O4/c1-3-15-5-4-6-16(11-15)24-21-17-12-19(27-8-7-25)20(28-10-9-26-2)13-18(17)22-14-23-21/h1,4-6,11-14,25H,7-10H2,2H3,(H,22,23,24)/i4D,5D,6D,11D
InChI Key	KOQIAZNBAWFSQM-GTNXRJHWSA-N
Boiling Point	572.8±50.0°C at 760 mmHg
Melting Point	145-152°C
Purity	96% by CP; 97% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	Light Beige Solid
Storage	Store at-20°C