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Impurities and reference standards

Levocabastine

Also known as Levocabastinum, Levocabastina, Cabastine

CAS 79516-68-0Formula C26H29FN2O2Molar mass 420.53 g/mol
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Levocabastine chemical structure, C26H29FN2O2, CAS 79516-68-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
79516-68-0
Formula
C26H29FN2O2
Molar mass
420.53 g/mol
HS code
293339
Category
Impurities and reference standards

What is Levocabastine?

Plain description, key identifiers and synonyms

Levocabastine is a member of piperidines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid
CAS number
79516-68-0 CAS number cross-checkedOther or deprecated CAS: 105452-51-5, 79449-98-2
Molecular formula
C26H29FN2O2
UNII
COU3RRH769, H68BP06S81
InChIKey
ZCGOMHNNNFPNMX-YHYDXASRSA-N
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
Canonical SMILES
CC1CN(C2CCC(C#N)(c3ccc(F)cc3)CC2)CCC1(C(=O)O)c1ccccc1
Isomeric 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

Synonyms

  • Levocabastinum
  • Levocabastina
  • Cabastine
  • (3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid
  • Levocabastine (INN)
  • Levocabastin
  • trans-4-Cyano Cabastine
  • Cabastinum
  • Levocobastine
  • Levocabastine impurity 27
  • (3S,4R)-3-methyl-4-phenyl-1-[(1s,4s)-4-cyano-4-(4-fluorophenyl)cyclohexyl]piperidine-4-carboxylic acid
  • 4-Piperidinecarboxylic acid, 1-(4-cyano-4-(4-fluorophenyl)cyclohexyl)-3-methyl-4-phenyl-, (3S-(1(cis),3alpha,4beta))-
  • Levocabastine EP Impurity E (Free Base)
  • Levocabastine Hydrochloride EP Impurity E
  • (+-)-trans-1-(cis-4-Cyano-4-(p-fluorophenyl)cyclohexyl)-3-methyl-4-phenylisonipecotic acid
  • (+-)-trans-1-(cis-4-Cyano-4-(p-fluorophenyl)cyclohexyl)-3-methyl-4-phenylisonipecotic acid.
  • (+/-)-Trans-1-(cis-4-cyano-4-(P-fluorophenyl)cyclohexyl)-3-methyl-4-phenylisonipecotic acid
  • (3S,4R)-1-((1r,4S)-4-cyano-4-(4-fluorophenyl)cyclohexyl)-3-methyl-4-phenylpiperidine-4-carboxylic acid
  • (3S,4R)-1-[(1s,4R)-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid
  • (3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid
  • 4-Piperidinecarboxylic acid, 1-(4-cyano-4-(4-fluorophenyl)cyclohexyl)-3-methyl-4-phenyl-, (-)-(1(cis),3alpha,4.beta.)-
  • rel-(3R,4S)-1-[cis-4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl-4-piperidinecarboxylic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
420.53 g/molcalc.
Exact mass
420.2213 Dacalc.
LogP (octanol/water)
4.89calc.
Topological polar surface area
64.33 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(C2CCC(N3CCC(c4ccccc4)CC3)CC2)cc1

c1ccc(C2CCC(N3CCC(c4ccccc4)CC3)CC2)cc1

4 rings, 24 atoms.

7 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Levocabastine suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Levocabastine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Levocabastine is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Levocabastine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Levocabastine, based on the data on this page

What is Levocabastine?

Levocabastine is a member of piperidines.

What is the CAS number of Levocabastine?

The CAS registry number of Levocabastine is 79516-68-0. Other or deprecated CAS numbers: 105452-51-5, 79449-98-2.

What is the molecular formula and weight of Levocabastine?

The molecular formula of Levocabastine is C26H29FN2O2 and its molar mass is 420.53 g/mol.

Is Levocabastine hazardous?

No GHS hazard classification for Levocabastine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Levocabastine?

Levocabastine is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Levocabastine?

CompoundList lists 2 suppliers of Levocabastine in Czech Republic and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Levocabastine?

Suppliers quote Levocabastine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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