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Chemical structure of Diphenhydramine-d5 hydrochloride

GC68984

Diphenhydramine-d5 hydrochloride

Also known as N,N-dimethyl-2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]ethanamine;hydrochloride

Diphenhydramine-d5 (hydrochloride) is the deuterated form of Diphenhydramine hydrochloride· Diphenhydramine hydrochloride is a first-generation antihistamine with anticholinergic properties that acts as an antagonist at histamine H1-receptors· It can cross the blood-brain barrier

ChemicalCAS1219795-16-0MW296.85FormulaC17H17D5ClNO
CAS number
1219795-16-0
Molecular weight
296.85
Formula
C17H17D5ClNO
Solubility
DMSO : 100 mg/mL (336·87 mM; Need ultrasonic); H2O : 100 mg/mL (336·87 mM; Need ultrasonic)
InChIKey
PCHPORCSPXIHLZ-BSBWQDPUSA-N
Catalogue number
GC68984
Brand
GLPBIO
Computed properties PubChem CID 76974743 · TPSA 12.5 Ų · H-bond donors 1 · H-bond acceptors 2
TPSA
12.5 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
20

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C(C2=CC=CC=C2)OCCN(C)C)[2H])[2H].Cl

Computed descriptors from PubChem (CID 76974743), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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