Basic information
- CAS
5066-49-9- Standard SMILES
CCCCNc1ccc(C(=O)OC2CC[NH+](C)CC2)c(Cl)c1.CS(=O)(=O)[O-]- InChIKey
HOEMGXDLQQOUJN-UHFFFAOYSA-N- Molecular formula
- C18H29ClN2O5S
- Average molar mass
- 421 g/mol
- Monoisotopic mass
- 420.1485709
Names & identifiers
- Preferred name
- Benzoic acid, 4-butylamino-2-chloro-, N-methyl-4-piperidyl ester, methanesulfonate
- IUPAC
- methanesulfonate;(1-methylpiperidin-1-ium-4-yl) 4-(butylamino)-2-chlorobenzoate
Names & synonyms
Chloroparidocaine methanesulfonateBenzoic acid, 4-butylamino-2-chloro-, N-methyl-4-piperidyl ester, methanesulfonate5066-49-9DTXSID10198700N-Methyl-4-piperidyl 4-butylamino-2-chlorobenzoate methanesulfonate4-Butylamino-2-chlorobenzoic acid N-methyl-4-piperidyl ester methanesulfonateRefChem:327547DTXCID301211914-{[4-(Butylamino)-2-chlorobenzoyl]oxy}-1-methylpiperidin-1-ium methanesulfonate
Database identifiers
- CAS
5066-49-9- PubChem CID
- 21153
- DTXSID
DTXSID10198700
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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