Didesmethyl Erlotinib Hydrochloride Salt

Base Information

• Chemical Name: Didesmethyl Erlotinib Hydrochloride Salt
• CAS No.: 183320-12-9
• Molecular Formula: C20H19 N3 O4 . Cl H
• Molecular Weight: 0
• UNII: 6PK6W9S7J8
• DSSTox Substance ID: DTXSID50596529
• Mol file: 183320-12-9.mol

Synonyms:Didesmethyl Erlotinib Hydrochloride Salt;183320-12-9;Ethanol, 2-[[4-[(3-ethynylphenyl)amino]-6-(2-hydroxyethoxy)-7-quinazolinyl]oxy]-, hydrochloride (1:1);DIDESMETHYL ERLOTINIB HCL SALT;2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol;hydrochloride;6PK6W9S7J8;SCHEMBL1507714;DIDESMETHYLERLOTINIBHCLSALT;DTXSID50596529;BCP27884;AKOS030254417;2,2 inverted exclamation mark -[[4-[(3-Ethynylphenyl)amino]-6,7-quinazolinediyl]bis(oxy)]bis-ethanol Monohydrochloride;CS-0163972;J-011735;2,2'-((4-((3-ethynylphenyl)amino)quinazoline-6,7-diyl)bis(oxy))diethanol hydrochloride? (Erlotinib Impurity pound(c);2,2'-{[4-(3-Ethynylanilino)quinazoline-6,7-diyl]bis(oxy)}di(ethan-1-ol)--hydrogen chloride (1/1);Ethanol, 2,2'-[[4-[(3-ethynylphenyl)amino]-6,7-quinazolinediyl]bis(oxy)]bis-, monohydrochloride;Ethanol, 2-[[4-[(3-ethynylphenyl)amino]-6-(2-hydroxyethoxy)-7-quinazolinyl]oxy]-, hydrochloride

Chemical Property of Didesmethyl Erlotinib Hydrochloride Salt

Chemical Property:

• Vapor Pressure: 5.77E-16mmHg at 25°C
• Melting Point: >240°C (dec.)
• Boiling Point: 614.7°C at 760 mmHg
• Flash Point: 325.5°C
• PSA: 96.73000
• LogP: 2.97190
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 401.1142338
• Heavy Atom Count: 28
• Complexity: 497

Purity/Quality:

NLT 98% ^*data from raw suppliers

DidesmethylErlotinibHydrochlorideSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)OCCO)OCCO.Cl
• Uses: A metabolite of Erlotinib (E625000).