Basic information
- CAS
70879-28-6- Standard SMILES
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1.Cl.O- InChIKey
YYESXRRYBUERKF-UHFFFAOYSA-N- Molecular formula
- C21H35ClN6O4
- Average molar mass
- 471 g/mol
- Monoisotopic mass
- 470.2408313
Overview
See also: Alfentanil (annotation moved to).
Names & identifiers
- Preferred name
- Alfenta
- IUPAC
- N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide;hydrate;hydrochloride
- English name
- ALFENTANIL HYDROCHLORIDE CII (500 MG)
- Molecular formula
- C21H35ClN6O4
- Molecular weight
- 471
Names & synonyms
Alfentanil HCl hydrateAlfentaAlfentanil hydrochloride [USAN:USP]N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide;hydrate;hydrochlorideAlfentanil hydrochlorid-1-wasserAlfentanil hydrochloride [USAN]UNII-11S92G0TIWAlfenta (TN)N-(1-(2-(4-Ethyl-5-oxo-2-tetrazolin-1-yl)-ethyl)-4-(methoxymethyl)-4-piperidyl)propionanilide monohydrochloride monohydratealfentanil hydrochloride hydrateAlfentanil hydrochloride (USP)SCHEMBL11519712
Show more names
r39209rapifenhydrochlorideALFENTANIL HYDROCHLORIDE MONOHYDRATEALFENTANIL HYDROCHLORIDE CII (500 MG)oxymethyl)-4-piperidinyl)-n-phenyl-,hydrochloride,hydrate
YYESXRRYBUERKF-UHFFFAOYSA-NVCA87928ALFENTANIL HYDROCHLORIDE [MART.]ALFENTANIL HYDROCHLORIDE [VANDF]ALFENTANIL HYDROCHLORIDE [USP-RS]N-(1-(2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl)-4-(methoxymethyl)piperidin-4-yl)-N-phenylpropionamide hydrochloride hydratePropanamide, N-(1-(2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl)-4-(methoxymethyl)-4-piperidinyl)-N-phenyl, monohydrochloride, monohydrateAlfentanil Hydrochloride CII (1012906)
Properties
Computed structural properties
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 614
Physicochemical properties
- Melting point
- 140.8 ° · 140.8° (Janssens, 1979); mp 138.4° (Janssens, 1986)
- FDA UNII
- 11 S92G0TIW · 11S92G0TIW
- NCI Drug Dictionary
- Alfenta
- HS Code
- 2933330000 · 2933330000
- Toxicity
- 50 in · LD50 in rats, dogs (mg/kg): 47.5, 20 i.v. (Niemegeers, Janssen)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933330000
- Toxicity
- LD50 in rats, dogs (mg/kg): 47.5, 20 i.v. (Niemegeers, Janssen)
Chemistry & industry
Applications
UsesAnalgesic (narcotic).
Related reactions
1 records
Compound notes
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