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Chemical structure of Diphenhydramine-d6 hydrochloride

GC68985

Diphenhydramine-d6 hydrochloride

Also known as 2-benzhydryloxy-N,N-bis(trideuteriomethyl)ethanamine;hydrochloride

Diphenhydramine-d6 (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

ChemicalCAS1189986-72-8MW297.85FormulaC17H16D6ClNO
CAS number
1189986-72-8
Molecular weight
297.85
Formula
C17H16D6ClNO
InChIKey
PCHPORCSPXIHLZ-TXHXQZCNSA-N
Catalogue number
GC68985
Brand
GLPBIO
Computed properties PubChem CID 46781390 · 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]C([2H])([2H])N(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)C([2H])([2H])[2H].Cl

Computed descriptors from PubChem (CID 46781390), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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