Levocabastine hydrochloride
Basic information
- CAS
79547-78-7- Standard SMILES
C[C@@H]1CN(C2CCC(C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1.Cl- InChIKey
OICFWWJHIMKBCD-VALQNVSPSA-N- Molecular formula
- C26H30ClFN2O2
- Average molar mass
- 457 g/mol
- Monoisotopic mass
- 456.1979841
Overview
Livostin (TN) is a member of piperidines.
Names & identifiers
- Preferred name
- Levocabastine hydrochloride
- IUPAC
- (3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
- English name
- 1-(4-Cyano-4-(4-fluorophenyl)cyclohexyl)-3-methyl-4-phenylpiperidine-4-carboxylic acid monohydrochloride
- Molecular formula
- C26H30ClFN2O2
- Molecular weight
- 456.99
Names & synonyms
LEVOCABASTINE HYDROCHLORIDE79547-78-7Levocabastine HClLivostinLevocabastine (hydrochloride)(3S,4R)-Cabastine HydrochlorideLivostin (TN)DTXSID9045508R 50,547124XMA6YEI(-)-trans-1-(cis-4-Cyano-4-(p-fluorophenyl)cyclohexyl)-3-methyl-4-phenylisonipecotic acid monohydrochloride(3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
Show more names
547R50547LEVOSTINLEVOPHTA(3S,4R)-CabastineLIVOSTIN USP/EP/BP
DTXCID7025508R-50547Levocabastine hydrochloride [USAN]UNII-124XMA6YEILevocabastine hydrochloride [USAN:USP]NCGC00016939-01CAS-79547-78-7SCHEMBL99969
Database identifiers
- CAS
79547-78-7- PubChem CID
- 54384
- DTXSID
DTXSID9045508- ChEMBL
CHEMBL1237102- ChEBI
CHEBI:31777- UNII
- 124XMA6YEI
Properties
Computed structural properties
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 681
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 10 mg/mL, · DMSO: ~10 mg/mL, soluble
- form
- solid
- color
- white
- Major Application
- pharmaceutical (small molecule)
- InChIKey
- OICFWWJHIMKBCD-VALQNVSPSA-N
- SMILES
- Cl[H].C[C@@H]1CN(CC[C@]1(C(O)=O)c2ccccc2)[C@@H]3CC[C@@](CC3)(C#N)c4ccc(F)cc4
- FDA UNII
- 124 XMA6YEI · 124XMA6YEI
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HS Code
- 2933399090 · 2933399090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2933399090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
DescriptionLevocabastine hydrochloride is a new, highly potent and specific histamine HI-receptor antagonist without anticholinergic or antiserotonergic side effects. It is reported to have both a fast onset and long duration of action. Indications are the treatment of allergic conjunctivitis and allergic rhinitis.
UsesA histamine H1 receptor antagonist used in allergic conjunctivitis.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Livostin (TN) is a member of piperidines.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…