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Erlotinib-[13C6] Hydrochloride

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General Information
Catalog: BLP-011570
CAS: 1210610-07-3
Molecular Formula: C16[13C]6H23N3O4.HCl
Molecular Weight: 435.82

Chemical Structure

Description	Erlotinib-[13C6] Hydrochloride is the labelled salt of Erlotinib. Erlotinib is a tyrosine kinase inhibitor which acts on the epidermal growth factor receptor (EGFR), inhibiting EGFR-associated kinase activity. Erlotinib is a medication used to treat non-small cell lung cancer and pancreatic cancer.
Synonyms	Erlotinib-13C6 Hydrochloride; N-[3-ethynyl(1,2,3,4,5,6-13C6)phenyl]-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride; Tarceva-13C6
IUPAC Name	N-(5-ethynyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
Related CAS	183319-69-9 (unlabelled) 183321-74-6 (unlabelled free base)
Isomeric SMILES	COCCOC1=C(C=C2C(=C1)C(=NC=N2)N[13C]3=[13CH][13CH]=[13CH][13C](=[13CH]3)C#C)OCCOC.Cl
Canonical SMILES	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl
InChI	InChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H/i5+1,6+1,7+1,12+1,16+1,17+1;
InChI Key	GTTBEUCJPZQMDZ-WQQMTWEQSA-N
Purity	95% by HPLC; 98% atom 13C
Solubility	Soluble in Acetone, DMF (Slightly, Heated), DMSO (Slightly, Heated)
Appearance	White to Light Yellow Solid
Storage	Store at -20°C