Diphenhydramine-d5 HCl

CAT: 1596-AR-D01948-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D01948-01Size:10 Units

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CAS Number

1219795-16-0

Synonyms

N, N-dimethyl-2-[ (2,3,4,5,6-pentadeuteriophenyl) -phenylmethoxy]ethanamine; hydrochloride; Diphenhydramine-d5 HCl (phenyl-d5)

Molecular Formula

C17H16NOD5. HCl

Molecular Weight

260.39 36.46

API Name

Diphenhyldramine

Chemical Information

Diphenhydramine-d5 HCl (phenyl-d5)

CAS Number	1219795-16-0
PubChem CID	76974743
IUPAC Name	N,N-dimethyl-2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]ethanamine;hydrochloride
Molecular Formula	C17H22ClNO
Molecular Weight	296.8
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	211

SMILES

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

InChIKey

PCHPORCSPXIHLZ-BSBWQDPUSA-N

Chemical Structure

2D Structure

CAS: 1219795-16-0

CID: 76974743

Formula: C17H22ClNO

MW: 296.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	296.1703757
Monoisotopic Mass	296.1703757
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	211
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-D01945-01	Diphenhydramine-d5
AR-D07209-01	Diphenhydramine-d5
AR-D01949-01	Diphenhydramine HCl
AR-D07203-01	Diphenhydramine-d6 HCl
AR-D05948-01	Diphenhydramine N-Oxide HCl
AR-D01950-01	Diphenhydramine EP Impurity A HCl
AR-D01938-01	Diphenhydramine EP Impurity C HCl
AR-B06568-01	Benzhexol-d5 HCl (Trihexyphenidyl-d5 HCl)
AR-C03193-01	Trans-Clomiphene-d5 HCl (Enclomiphene-d5 HCl)
AR-C08060-01	Cis-Clomiphene-d5 HCl (Zuclomiphene-d5 HCl)

Catalog	Name
HY-B0303AS1-01	Diphenhydramine-d5 (hydrochloride)
CS-O-06550	Diphenhydramine-d5 Hydrochloride
TRC-D486901-1MG	Diphenhydramine-d5 HCl (phenyl-d5)
TRC-D486901-2MG	Diphenhydramine-d5 Hydrochloride (Phenyl-d5)
TRC-D161450-50MG	N-Desmethyl Diphenhydramine-d5 Hydrochloride
M27401-01	Diphenhydramine
CS-O-41341	N-Nitroso N-Desmethyl Diphenhydramine-d5 [Mixture of isomers]