Hydroxyzine-d8

CAT: 0926-PXB48047-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-PXB48047-02Size:10 mg

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CAS Number

1189480-47-4

Smiles

C1CN (CCN1CCOCCO) C (C2=CC=CC=C2) C3=CC=C (C=C3) Cl

Molecular Formula

C21H27ClN2O2

Molecular Weight

383 g/mol

Controlled

Chemical Information

Hydroxyzine-d8

CAS Number	1189480-47-4
PubChem CID	45039540
IUPAC Name	2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethoxy]ethanol
Molecular Formula	C21H27ClN2O2
Molecular Weight	383.0
XLogP	3.7
Topological Polar Surface Area	35.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	26
Formal Charge	0
Complexity	376

SMILES

[2H]C1(C(N(C(C(N1CCOCCO)([2H])[2H])([2H])[2H])C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)([2H])[2H])[2H]

InChI

InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2/i10D2,11D2,12D2,13D2

InChIKey

ZQDWXGKKHFNSQK-BGKXKQMNSA-N

Chemical Structure

2D Structure

CAS: 1189480-47-4

CID: 45039540

Formula: C21H27ClN2O2

MW: 383.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	383.0
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	382.2263198
Monoisotopic Mass	382.2263198
Topological Polar Surface Area	35.9 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	376
Isotope Atom Count	8
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
MBS5766823	Hydroxyzine D8
MBS6102933-01	Hydroxyzine-d8
TMIJ-0502-01	Hydroxyzine-d8 DiHCl
CS-SN-00041	Hydroxyzine-d8 Dihydrochloride
HY-B0548AS2	Hydroxyzine-d8 (dihydrochloride)
TMIH-0272-01	Hydroxyzine dihydrochloride-d8
452112-01	Hydroxyzine-d8 1-Fructose
TRC-H996495-5G	Hydroxyzine
RG-A261682-01	(±) -Hydroxyzine