Piminodine
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Basic information
- CAS
13495-09-5- Standard SMILES
CCOC(=O)C1(c2ccccc2)CCN(CCCNc2ccccc2)CC1- InChIKey
PXXKIYPSXYFATG-UHFFFAOYSA-N- Molecular formula
- C23H30N2O2
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.2307282
Overview
Piminodine is a member of piperidines.
Names & identifiers
- Preferred name
- Piminodine
- IUPAC
- ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate
- English name
- Piminodine
- Molecular formula
- C23H30N2O2
- Molecular weight
- 366.5
Names & synonyms
PIMINODINEAnopridinePimadineCimadonPimadinPimadin (analgesic)Piminodina13495-09-5Piminodinum3IIX447HWS4-Piperidinecarboxylic acid, 4-phenyl-1-(3-(phenylamino)propyl)-, ethyl esterIDS-NP-012
Show more names
Brn 0334632Dea no. 9730Einecs 236-817-6PXXKIYPSXYFATG-UHFFFAOYSA-N4-Phenyl-1-[3-(phenylamino)propyl]-4-piperidinecarboxylic acid ethyl ester
Isonipecotic acid, 1-(3-anilinopropyl)-4-phenyl-, ethyl esterDTXSID601591494-Piperidinecarboxylic acid, 4-phenyl-1-[3-(phenylamino)propyl]-, ethyl esterRefChem:863298DTXCID4081640ethyl 1-(3-(phenylamino)propyl)-4-phenylpiperidine-4-carboxylate236-817-6Alvodine
Database identifiers
- CAS
13495-09-5- PubChem CID
- 21950
- DTXSID
DTXSID60159149- ChEMBL
CHEMBL2110995- ChEBI
CHEBI:135546- UNII
- 3IIX447HWS
- EC Number
- 236-817-6
- Nikkaji
- J8.122A
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 434
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Narcotic Analgesics
DEA Schedule II Controlled Substance -> Opiates
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Physicochemical properties
- Boiling point
- 515.2 · 515.2±50.0 °C(Predicted)
- Density
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- pka
- 6.9 · pKa 6.90 (Uncertain)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 IIX447HWS · 3IIX447HWS
- DEA Controlled Substances
- 9730 CSA · CSCN: 9730CSA SCH: Schedule IINARC: Yes
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationDEA schedule II controlled substance
Safety data
- DEA Controlled Substances
- CSCN: 9730CSA SCH: Schedule IINARC: Yes
Chemistry & industry
Applications
UsesAlvodine Ethanesulfonate (Sterling Winthrop).
Additional notes
DefinitionChEBI: Piminodine is a member of piperidines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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