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Chemical structure of Phenacetin-d5

GC66429

Phenacetin-d5

Also known as N-[4-(1,1,2,2,2-pentadeuterioethoxy)phenyl]acetamide

Phenacetin-d5 (Acetophenetidin-d5) is the deuterium labeled Phenacetin· Phenacetin (Acetophenetidin) is a non-opioid analgesic/antipyretic agent· Phenacetin is a selective COX-3 inhibitor· Phenacetin is used as probe of cytochrome P450 enzymes CYP1A2 in human liver microsomes and in rats

ChemicalCAS69323-74-6MW184.25FormulaC10H8D5NO2
CAS number
69323-74-6
Molecular weight
184.25
Formula
C10H8D5NO2
Solubility
DMSO ： 100 mg/mL (542·74 mM; ultrasonic and warming and heat to 60°C)
InChIKey
CPJSUEIXXCENMM-WNWXXORZSA-N
Catalogue number
GC66429
Brand
GLPBIO
Computed properties PubChem CID 12274536 · XLogP 1.6 · TPSA 38.3 Ų · H-bond donors 1
XLogP
1.6
TPSA
38.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
13

SMILES [2H]C([2H])([2H])C([2H])([2H])OC1=CC=C(C=C1)NC(=O)C

Computed descriptors from PubChem (CID 12274536), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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