Erlotinib 13C6 Hydrochloride

Base Information

• Chemical Name: Erlotinib 13C6 Hydrochloride
• CAS No.: 1210610-07-3
• Molecular Formula: C22H24ClN3O4
• Molecular Weight: 435.9
• DSSTox Substance ID: DTXSID20678644
• Mol file: 1210610-07-3.mol

Synonyms:1210610-07-3;Erlotinib HCl-13C6;Erlotinib-13C6 (hydrochloride);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;Erlotinib 13C6 Hydrochloride;DTXSID20678644;GTTBEUCJPZQMDZ-WQQMTWEQSA-N;CS-O-00724;HY-12008S1;CS-0375162;N-[3-Ethynyl(~13~C_6_)phenyl]-6,7-bis(2-methoxyethoxy)quinazolin-4-amine--hydrogen chloride (1/1)

Chemical Property of Erlotinib 13C6 Hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 435.1656630
• Heavy Atom Count: 30
• Complexity: 525

Purity/Quality:

99%13C ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl
• Isomeric SMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)N[13C]3=[13CH][13CH]=[13CH][13C](=[13CH]3)C#C)OCCOC.Cl