Allylprodine
Basic information
- CAS
25384-17-2- Standard SMILES
C=CCC1CN(C)CCC1(OC(=O)CC)c1ccccc1- InChIKey
KGYFOSCXVAXULR-UHFFFAOYSA-N- Molecular formula
- C18H25NO2
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.18852904
Overview
Allylprodine is a DEA Schedule I controlled substance. Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse. It is a Opiates substance.
Names & identifiers
- Preferred name
- Allylprodine
- IUPAC
- (1-methyl-4-phenyl-3-prop-2-enylpiperidin-4-yl) propanoate
- English name
- Allylprodine
- Molecular formula
- C18H25NO2
- Molecular weight
- 287.4
Names & synonyms
AllylprodineAlperidine25384-17-2AllilprodinaAllylprodinumAliprodinaAllilprodina [DCIT]alilprodinaRo 2-7113Aliprodina [INN-Spanish]Allylprodinum [INN-Latin]NIH 7440
Show more names
Allylprodine D5KGYFOSCXVAXULR-UHFFFAOYSA-N(1-methyl-4-phenyl-3-prop-2-enyl-4-piperidyl) propanoatePropionic acid 3-allyl-1-methyl-4-phenylpiperidin-4-yl ester4-Piperidinol, 1-methyl-4-phenyl-3-(2-propen-1-yl)-, 4-propanoate
UNII-4343OEZ18OAllylprodine [INN:BAN:DCF]DEA No. 96024-Piperidinol, 1-methyl-4-phenyl-3-(2-propenyl)-, propanoate (ester)ACSCN-9602IDS-NA-0071-methyl-4-phenyl-3-(prop-2-en-1-yl)piperidin-4-yl propanoate4-Piperidinol, 3-allyl-1-methyl-4-phenyl-, propionate (ester)
Database identifiers
- CAS
25384-17-2- PubChem CID
- 32938
- DTXSID
DTXSID80865210- ChEMBL
CHEMBL2103995
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Narcotic Analgesics
DEA Schedule I Controlled Substance -> Opiates
LogP2.97
Physicochemical properties
- Boiling point
- 366.3 · 366.3±42.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- 7.23 · 7.23±0.10(Predicted)
- FDA UNII
- 4343 OEZ18O · 4343OEZ18O
- DEA Controlled Substances
- 9602 CSA · CSCN: 9602CSA SCH: Schedule INARC: 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 I controlled substance
Safety data
- DEA Controlled Substances
- CSCN: 9602CSA SCH: Schedule INARC: Yes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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