Name: Didesmethyl Erlotinib-[d8] hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-011462

Molecular Formula: C20H12D8ClN3O4

Molecular Weight: 409.89

Chemical Structure

Description	Didesmethyl Erlotinib-[d8] hydrochlorid is the labelled salt of Didesmethyl Erlotinib, which is a metabolite of Erlotinib.
Synonyms	O-Desmethyl Erlotiniβ-d8 HCl; O-Desmethyl Erlotiniβ-d8 hydrochloride; 2,2'-[[4-[(3-Ethynylphenyl)amino]-6,7-quinazolinediyl]bis(oxy)]bis-ethanol-d8 Monohydrochloride; Didesmethyl Erlotinib-d8 Hydrochloride Salt; Erlotinib metabolite M12-d8 Hydrochloride
IUPAC Name	1,1,2,2-tetradeuterio-2-[4-(3-ethynylanilino)-7-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)quinazolin-6-yl]oxyethanol;hydrochloride
Related CAS	183320-12-9 (unlabelled) 183321-84-8 (unlabelled free base)
Canonical SMILES	C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)OCCO)OCCO.Cl
InChI	InChI=1S/C20H19N3O4.ClH/c1-2-14-4-3-5-15(10-14)23-20-16-11-18(26-8-6-24)19(27-9-7-25)12-17(16)21-13-22-20;/h1,3-5,10-13,24-25H,6-9H2,(H,21,22,23);1H/i6D2,7D2,8D2,9D2;
InChI Key	CUXTVYBENQCZOP-OEVGSOSGSA-N
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Light Beige Solid
Storage	Store at 2-8°C