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Levocabastine HCl EP Impurity A

CAT: 1596-AR-L06984-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L06984-01Size:10 Units
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CAS Number
1348822-76-3
Molecular Formula
C26H30N2O2
Molecular Weight
402.54
API Name
Levocabastine

Chemical Information

Desfluoro Cabastine
CAS Number1348822-76-3
PubChem CID155922984
IUPAC Name(3S,4R)-1-(4-cyano-4-phenylcyclohexyl)-3-methyl-4-phenylpiperidine-4-carboxylic acid
Molecular FormulaC26H30N2O2
Molecular Weight402.5
XLogP2.4
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity647
SMILES
C[C@@H]1CN(CC[C@@]1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=CC=C4
InChI
InChI=1S/C26H30N2O2/c1-20-18-28(17-16-26(20,24(29)30)22-10-6-3-7-11-22)23-12-14-25(19-27,15-13-23)21-8-4-2-5-9-21/h2-11,20,23H,12-18H2,1H3,(H,29,30)/t20-,23?,25?,26-/m1/s1
InChIKey
SACWPKNNCWGCEU-UOATUGCDSA-N
Chemical Structure
2D Structure
2D structure of Desfluoro Cabastine
CAS: 1348822-76-3
CID: 155922984
Formula: C26H30N2O2
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass402.230728204
Monoisotopic Mass402.230728204
Topological Polar Surface Area64.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity647
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

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Alternative Products

CatalogName
CS-O-60548Levocabastine Nitroso impurity
RM-L052401-01Levocabastine Hydrochloride EP Impurity A
RM-L052417-01Levocabastine Hydrochloride Impurity 17
RM-L052416-01Levocabastine Hydrochloride Impurity 16
RM-L052415-01Levocabastine Hydrochloride Impurity 15
RM-L052413-01Levocabastine Hydrochloride Impurity 13
RM-L052414-01Levocabastine Hydrochloride Impurity 14
RM-L052404-01Levocabastine Hydrochloride EP Impurity D
RM-L052402-01Levocabastine Hydrochloride EP Impurity B
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