Cyclomethycaine
Basic information
- CAS
139-62-8- Standard SMILES
CC1CCCCN1CCCOC(=O)c1ccc(OC2CCCCC2)cc1- InChIKey
YLRNESBGEGGQBK-UHFFFAOYSA-N- Molecular formula
- C22H33NO3
- Average molar mass
- 359.5 g/mol
- Monoisotopic mass
- 359.24604391
Overview
Cyclomethycaine is a benzoate ester.
Names & identifiers
- Preferred name
- Cyclomethycaine
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoate
- English name
- Cyclomethycaine
- Molecular formula
- C22H33NO3
- Molecular weight
- 359.5
Names & synonyms
CyclomethycaineTopocaineCyclocaineSurfathesin139-62-8CiclometicainaCyclomethycainumDTXSID8057643Benzoic acid, 4-(cyclohexyloxy)-, 3-(2-methyl-1-piperidinyl)propyl ester15E9I74NZ8DTXCID9031432RefChem:129774
Show more names
SurfacaineCyclomethycaine USP/EP/BP4-(Cyclohexyloxy)benzoic acid 3-(2-methyl-1-piperidinyl)propyl4-(cyclohexoxy)benzoic acid 3-(2-methyl-1-piperidyl)propyl ester
3-(2-Methylpiperidino)-propyl-p-cyclohexyloxybenzoateCainasurfa3-(2-methylpiperidin-1-yl)propyl 4-cyclohexyloxybenzoateBenzoic acid, p-(cyclohexyloxy)-, 3-(2-methylpiperidino)propyl esterCyclocaine; Surfathesin; Topocaine3-(2-Methylpiperidino)propyl p-(cyclohexyloxy)benzoateBenzoic acid,4-(cyclohexyloxy)-, 3-(2-methyl-1-piperidinyl)propyl esterCyclomethycaine [INN:BAN]
Database identifiers
- CAS
139-62-8- PubChem CID
- 10839
- DTXSID
DTXSID8057643- ChEMBL
CHEMBL127487- ChEBI
CHEBI:135520- UNII
- 15E9I74NZ8
- Nikkaji
- J5.644H
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 414
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 486.4 · 486.4±25.0 °C(Predicted)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- pka
- 9.4 · 9.40±0.10(Predicted)
- FDA UNII
- 15 E9I74NZ8 · 15E9I74NZ8
Chemistry & industry
Applications
UsesCyclomethycaine is also used in topical anesthesia on the skin or mucous membranes for cuts, bites, and also for urological examinations. A common synonym of this drug is surfacaine.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Cyclomethycaine is a benzoate ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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