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Meclizine 2HCl

CAT: 0607-B1786-5000Size: 5 gDry Ice: NoHazardous: No
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CAT#:0607-B1786-5000Size:5 g
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Description
Histamine H1 receptor antagonist
CAS Number
1104-22-9
Product Name Alternative
1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;dihydrochloride
Purity
0.999
Form
A solid
Solubility
insoluble in H2O; ≥2.93 mg/mL in EtOH with ultrasonic; ≥48.9 mg/mL in DMSO with ultrasonic
Smiles
CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl.Cl
Molecular Formula
C25H27Cl2N2·2HCl
Molecular Weight
463.87
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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...
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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