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Meclizine Hcl

CAT: 1299-RM-M031200-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M031200-01Size:10 mg
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CAS Number
31884-77-2
Synonyms
1-[ (4-Chlorophenyl) phenylmethyl]-4-[ (3-methylphenyl) methyl]-piperazine dihydrochloride monohydrate
Molecular Formula
C25H31Cl3N2O
Molecular Weight
481.89
Target Alternative Name
Meclizine
Product Name Synonym
1-[ (4-Chlorophenyl) phenylmethyl]-4-[ (3-methylphenyl) methyl]-piperazine dihydrochloride monohydrate

Chemical Information

Meclizine Dihydrochloride Monohydrate
CAS Number31884-77-2
PubChem CID49800000
IUPAC Name1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;hydrate;hydrochloride
Molecular FormulaC25H30Cl2N2O
Molecular Weight445.4
Topological Polar Surface Area7.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
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.O.Cl
InChI
InChI=1S/C25H27ClN2.ClH.H2O/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;1H;1H2
InChIKey
BAAVORPTHSKWGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Meclizine Dihydrochloride Monohydrate
CAS: 31884-77-2
CID: 49800000
Formula: C25H30Cl2N2O
MW: 445.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass444.1735190
Monoisotopic Mass444.1735190
Topological Polar Surface Area7.5 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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