Oxethazaine-[d6]

Category	Hepatitis B Virus (HBV)
CAS	1346603-51-7
Description	Oxethazaine-[d6], is the labelled analogue of Oxethazaine. Oxetacaine is a potent local anesthetic.

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Synonyms	2,2'-[(2-Hydroxyethyl)imino]bis[N-(α,α-dimethylphenethyl)-N-(methyl-d3)acetamide]; Oxethazaine-d6
IUPAC Name	2-[2-hydroxyethyl-[2-[(2-methyl-1-phenylpropan-2-yl)-(trideuteriomethyl)amino]-2-oxoethyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)-N-(trideuteriomethyl)acetamide
Molecular Weight	473.68
Molecular Formula	C28H35D6N3O3
Canonical SMILES	CC(C)(CC1=CC=CC=C1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC2=CC=CC=C2
InChI	InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3/i5D3,6D3
InChIKey	FTLDJPRFCGDUFH-SCPKHUGHSA-N
Boiling Point	630.4±55.0°C at 760 mmHg
Purity	≥98% (HPLC)
Density	1.1±0.1 g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	Solid powder
Storage	Store at-20°C
Complexity	585
Exact Mass	473.35245265
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
Target	HBV
XLogP3-AA	3.8