Basic information
- CAS
302-41-0- Standard SMILES
N#CC(CCN1CCC(C(N)=O)(N2CCCCC2)CC1)(c1ccccc1)c1ccccc1- InChIKey
IHEHEFLXQFOQJO-UHFFFAOYSA-N- Molecular formula
- C27H34N4O
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.27326172
Overview
Piritramide is a nitrile.
Names & identifiers
- Preferred name
- Piritramide
- IUPAC
- 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide
- English name
- piritramide
- Molecular formula
- C27H34N4O
- Molecular weight
- 430.59
Names & synonyms
PiritramideDipidolorPirinitramidePiritramidPiritramida302-41-0R 3365Piritramidum2,2-Diphenyl-4-(4-piperidino-4-carbamoylpiperidino)butyronitrile4RP92LYZ2FIDS-NP-013DTXSID00184293
Show more names
A 65PirdolanPiridolanPirtramideDipiritraMidePiritramide (1 mg/mL in Methanol)
R-3365(1,4'-BIPIPERIDINE)-4'-CARBOXAMIDE, 1'-(3-CYANO-3,3-DIPHENYLPROPYL)-1'-(3-Cyano-3,3-diphenylpropyl)-(1,4'-bipiperidine)-4'-carboxamide1'-(3-Cyano-3,3-diphenylpropyl)-[1,4'-bipiperidine]-4'-carboxamideDipydolor1-(3-cyano-3,3-diphenylpropyl)-4-(piperidin-1-yl)piperidine-4-carboximidic acid[1,4'-Bipiperidine]-4'-carboxamide, 1'-(3-cyano-3,3-diphenylpropyl)-RefChem:863649
Database identifiers
- CAS
302-41-0- PubChem CID
- 9331
- DTXSID
DTXSID00184293- ChEMBL
CHEMBL559288- ChEBI
CHEBI:135699- UNII
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 638
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Narcotic Analgesics
DEA Schedule I Controlled Substance -> Opiates
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals
LogP
3.91
3.91
Human DrugsBreast Feeding; Lactation; Milk, Human; Analgesics, Opioid; Narcotics
Melting Point149.5 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 149 · 149-150°
- Boiling point
- 544.82 °C · 544.82°C (rough estimate)
- Density
- 1.0967 · 1.0967 (rough estimate)
- refractive index
- 1.59 · 1.5900 (estimate)
- storage temp.
- -20 °C · Controlled Substance, -20°C Freezer
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationDEA schedule I controlled substance
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
ATC Code
N02AC03
N - Nervous system
QN - Nervous system
MeSH Pharmacological Classification
Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS.
Agents that induce NARCOSIS. Narcotics include agents that cause somnolence or induced sleep (STUPOR); natural or synthetic derivatives of OPIUM or MORPHINE or any substance that has such effects. They are potent inducers of ANALGESIA and OPIOID-RELATED DISORDERS.
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >100
Applications
UsesPiritramide is a synthetic opioid commonly used in Germany and Austria for the analgesia of pediatric patients.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Piritramide is a nitrile.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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