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Levocabastine Hydrochloride

CAT: 1299-RM-L052400-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L052400-01Size:10 mg
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CAS Number
79547-78-7
Synonyms
(3S,4R) -1-[cis-4-Cyano-4- (4-fluorophenyl) cyclohexyl]- 3-methyl-4-phenylpiperidine-4-carboxylic acid monohydrochloride
Molecular Formula
C26H30ClFN2O2
Molecular Weight
456.98
Target Alternative Name
Levocabastine
Product Name Synonym
(3S,4R) -1-[cis-4-Cyano-4- (4-fluorophenyl) cyclohexyl]- 3-methyl-4-phenylpiperidine-4-carboxylic acid monohydrochloride

Chemical Information

Levocabastine hydrochloride

Livostin (TN) is a member of piperidines.

CAS Number79547-78-7
PubChem CID54384
IUPAC Name(3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
Molecular FormulaC26H30ClFN2O2
Molecular Weight457.0
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity681
SMILES
C[C@@H]1CN(CC[C@@]1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F.Cl
InChI
InChI=1S/C26H29FN2O2.ClH/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20;/h2-10,19,23H,11-17H2,1H3,(H,30,31);1H/t19-,23?,25?,26-;/m1./s1
InChIKey
OICFWWJHIMKBCD-SFUPJVRMSA-N
Chemical Structure
2D Structure
2D structure of Levocabastine hydrochloride
CAS: 79547-78-7
CID: 54384
Formula: C26H30ClFN2O2
MW: 457.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass456.1979841
Monoisotopic Mass456.1979841
Topological Polar Surface Area64.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity681
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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FL165164-01Levocabastine hydrochloride
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HY-14277ARLevocabastine (hydrochloride) (Standard)
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TRC-F235770-50MGDesfluoro-levocabastine
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