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Cyclizine-d4 Hydrochloride

CAT: 0572-TRC-C987807-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C987807-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246814-82-3
Synonyms
1-(Diphenylmethyl)-4-methylpiperazine-d4 Hydrochloride; Marezine-d4 Hydrochloride; Marzine-d4; N-Benzhydryl-N'-methylpiperazine-d4 Monohydrochloride;
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: I
Purity
>95% (HPLC)
Smiles
[2H]C1(CN(CC(N1C(C2=CC=CC=C2)C3=CC=CC=C3)([2H])[2H])C)[2H].Cl
Molecular Formula
C18H19D4ClN2
Molecular Weight
306.87
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Cyclizine-d4 Hydrochloride
CAS Number1246814-82-3
PubChem CID71315065
IUPAC Name1-benzhydryl-2,2,6,6-tetradeuterio-4-methylpiperazine;hydrochloride
Molecular FormulaC18H23ClN2
Molecular Weight306.9
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity253
SMILES
[2H]C1(CN(CC(N1C(C2=CC=CC=C2)C3=CC=CC=C3)([2H])[2H])C)[2H].Cl
InChI
InChI=1S/C18H22N2.ClH/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18H,12-15H2,1H3;1H/i14D2,15D2;
InChIKey
UKPBEPCQTDRZSE-AKJKYJKUSA-N
Chemical Structure
2D Structure
2D structure of Cyclizine-d4 Hydrochloride
CAS: 1246814-82-3
CID: 71315065
Formula: C18H23ClN2
MW: 306.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass306.1800834
Monoisotopic Mass306.1800834
Topological Polar Surface Area6.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity253
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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