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Levocabastine

CAT: 1596-AR-L01470-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-L01470-05Size:150
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CAS Number
79516-68-0
Synonyms
(3S,4R) -1-[cis-4-Cyano-4- (4-fluorophenyl) cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylicacid; (3S,4R) -1-[cis-4-Cyano-4- (4-fluorophenyl) cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic Acid; [3S-[1 (cis),3?,4?]]-1-[4-Cyano-4- (4-fluorophenyl) cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic Acid; Levocabastine; Livostin
Molecular Formula
C26H29FN2O2
Molecular Weight
420.53
API Name
Levocabastine

Chemical Information

Levocabastine

Levocabastine is a member of piperidines.

CAS Number79516-68-0
PubChem CID54385
IUPAC Name(3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid
Molecular FormulaC26H29FN2O2
Molecular Weight420.5
XLogP2.5
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count31
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
InChI
InChI=1S/C26H29FN2O2/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)/t19-,23?,25?,26-/m1/s1
InChIKey
ZCGOMHNNNFPNMX-YHYDXASRSA-N
Chemical Structure
2D Structure
2D structure of Levocabastine
CAS: 79516-68-0
CID: 54385
Formula: C26H29FN2O2
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass420.22130633
Monoisotopic Mass420.22130633
Topological Polar Surface Area64.3 Ų
Heavy Atom Count31
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-14277Levocabastine
RM-L052400-01Levocabastine Hydrochloride
GTR19268574-01Levocabastine-CoA
TRC-F235770-50MGDesfluoro-levocabastine
BML-NH107-0010Levocabastine . HCl
HY-14277A-01Levocabastine (hydrochloride)
50R-R50547Levocabastine HCL (powder)
CS-O-60548Levocabastine Nitroso impurity
HY-14277ARLevocabastine (hydrochloride) (Standard)
TRC-C785025-10MG(3S,4S)-Levocabastine

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