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Cloperastine Hydrochloride

CAT: 0127-OR1028780-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
14984-68-0
Synonyms
1-[2-[ (4-chlorophenyl) -phenylmethoxy]ethyl]piperidine; hydrochloride
Purity
99%
Smiles
C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl

Chemical Information

Cloperastine Hydrochloride

Cloperastine hydrochloride is a diarylmethane.

CAS Number14984-68-0
PubChem CID161104
IUPAC Name1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;hydrochloride
Molecular FormulaC20H25Cl2NO
Molecular Weight366.3
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity318
SMILES
C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl
InChI
InChI=1S/C20H24ClNO.ClH/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22;/h1,3-4,7-12,20H,2,5-6,13-16H2;1H
InChIKey
UNPLRYRWJLTVAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cloperastine Hydrochloride
CAS: 14984-68-0
CID: 161104
Formula: C20H25Cl2NO
MW: 366.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight366.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass365.1313198
Monoisotopic Mass365.1313198
Topological Polar Surface Area12.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity318
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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