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Diphenhydramine-[d5] Hydrochloride

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Diphenhydramine-[d5] Hydrochloride

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General Information
Catalog: BLP-012319
CAS: 1219795-16-0
Molecular Formula: C17H17D5ClNO
Molecular Weight: 296.84

Chemical Structure

Description	Diphenhydramine-[d5] Hydrochloride is a labelled analogue of Diphenhydramine. Diphenhydramine is an antihistamine used for the treatment of allergies.
Synonyms	Diphenhydramine D5 Hydrochloride; N,N-Dimethyl-2-{phenyl[(2H5)phenyl]methoxy}ethanamine hydrochloride
IUPAC Name	N,N-dimethyl-2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]ethanamine;hydrochloride
Related CAS	147-24-0 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C(C2=CC=CC=C2)OCCN(C)C)[2H])[2H].Cl
Canonical SMILES	CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl
InChI	InChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H/i3D,5D,6D,9D,10D;
InChI Key	PCHPORCSPXIHLZ-BSBWQDPUSA-N
Purity	95% by HPLC; 95% atom D
Solubility	Soluble in DMSO, Water
Appearance	White to Off-white Solid
Storage	Store at -20°C