Vadocaine
Basic information
- CAS
72005-58-4- Standard SMILES
COc1cc(C)cc(C)c1NC(=O)CCN1CCCCC1C- InChIKey
UJCARUGFZOJPMI-UHFFFAOYSA-N- Molecular formula
- C18H28N2O2
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.21507814
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Vadocaine
- IUPAC
- N-(2-methoxy-4,6-dimethylphenyl)-3-(2-methylpiperidin-1-yl)propanamide
- English name
- vadocaine
- Molecular formula
- C18H28N2O2
- Molecular weight
- 304.431
Names & synonyms
Vadocaine72005-58-4VadocainaVadocainumOKA45SU1Q42',4'-dimethyl-6'-methoxy-3-(2-methylpiperidyl)propionanilideRefChem:193485Vadocaine [INN]N-(2-methoxy-4,6-dimethylphenyl)-3-(2-methylpiperidin-1-yl)propanamideOR-K 242(+-)-6'-Methoxy-2-methyl-1-piperidinepropiono-2',4'-xylidideVadocainum [Latin]
Show more names
OR-K-242N-(2-Methoxy-4,6-dimethylphenyl)-2-methyl-1-piperidinepropanamide
Vadocaina [Spanish]UNII-OKA45SU1Q4VADOCAINE [MART.]SCHEMBL250882orb1694953CHEMBL2104555SCHEMBL30564960DTXSID40868065
Database identifiers
- CAS
72005-58-4- PubChem CID
- 68912
- DTXSID
DTXSID40868065- ChEMBL
CHEMBL2104555- UNII
- OKA45SU1Q4
- Nikkaji
- J126.224F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- FDA UNII
- 45 SU1Q4 · OKA45SU1Q4
Chemistry & industry
Applications
UsesVadocaine (OR K-242), an orally active antitussive compound, is a local agent that can suppress or relieve pain[1].
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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