Erlotinib HCl-13C6

Datasheet MSDS
Catalog Number
ALP1565
Product Name
Erlotinib HCl-13C6
Structure
Erlotinib HCl-13C6
CAS Number
1210610-07-3
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
Synonyms
N-[3-ethynyl(1,2,3,4,5,6-13C6)phenyl]-6,7-bis(2-methoxyethoxy)quinazolin-4-aminehydrochloride
Molecular Formula
C16[13C]6H23N3O4·HCl
Molecular Weight
435.82
Purity
95% by HPLC;98% atom 13C
SMILES
COCCOC1=C(C=C2C(=C1)C(=NC=N2)N[13C]3=[13CH][13CH]=[13CH][13C](=[13CH]3)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
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