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(R) -Meclizine

CAT: 0013-GTR19153683-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153683-01Size:100 mg
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Description
Meclizine is a histamine H1 receptor antagonist used to treat nausea and motion sickness.
CAS Number
189298-48-4
Purity
>98%
Smiles
CC1=CC (=CC=C1) CN2CCN (CC2) C (C3=CC=CC=C3) C4=CC=C (C=C4) Cl
Molecular Formula
C25H27Cl2N2
Molecular Weight
390
Notes
For research use only.

Chemical Information

Meclizine, (R)-
CAS Number189298-48-4
PubChem CID23307231
IUPAC Name1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine
Molecular FormulaC25H27ClN2
Molecular Weight390.9
XLogP5.8
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity447
SMILES
CC1=CC(=CC=C1)CN2CCN(CC2)[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H27ClN2/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/t25-/m1/s1
InChIKey
OCJYIGYOJCODJL-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of Meclizine, (R)-
CAS: 189298-48-4
CID: 23307231
Formula: C25H27ClN2
MW: 390.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.9
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass390.1862766
Monoisotopic Mass390.1862766
Topological Polar Surface Area6.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity447
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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