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Meclizine DiHCl

CAT: 1596-AR-M01150-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01150-01Size:10 Units
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CAS Number
1104-22-9
Synonyms
Ancolan Dihydrochloride; Bonamine; Diadril; Meclizine Hydrochloride; Meclozine Dihydrochloride; Meclozine Hydrochloride; NSC 28728; Navidoxine; Parachloramine Dihydrochloride; Postafen; Postafene Dihydrochloride; Meclizine Dihydrochloride
Molecular Formula
C25H27ClN2. 2 HCl
Molecular Weight
390.96 2 36.46
API Name
Meclizine

Chemical Information

Meclozine Dihydrochloride
CAS Number1104-22-9
PubChem CID64713
IUPAC Name1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;dihydrochloride
Molecular FormulaC25H29Cl3N2
Molecular Weight463.9
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity447
SMILES
CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl.Cl
InChI
InChI=1S/C25H27ClN2.2ClH/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23;;/h2-13,18,25H,14-17,19H2,1H3;2*1H
InChIKey
VCTHNOIYJIXQLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Meclozine Dihydrochloride
CAS: 1104-22-9
CID: 64713
Formula: C25H29Cl3N2
MW: 463.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass462.139632
Monoisotopic Mass462.139632
Topological Polar Surface Area6.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity447
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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