Compound: ALFENTANIL
SMILES: O=c1n(nnn1CC)CCN2CCC(N(c3ccccc3)C(=O)CC)(COC)CC2
InChIKey: IDBPHNDTYPBSNI-UHFFFAOYSA-N
Synonyms: ALFENTANIL, Alfentanyl, Alfentanilum, Rapifen, 71195-58-9, afentanyl, Alfentanilo, 1N74HM2BS7, CHEBI:2569, IDS-NA-014, N-(1-(2-(4-Ethyl-5-oxo-2-tetrazolin-1-yl)ethyl)-4-(methoxymethyl)-4-piperidyl)propionanilide, N-(1-(2-(4-Ethyl-4,5-dihydro-5-oxotetrazolyl)ethyl)-4-(methoxymethyl)-4-piperidyl)propionanilid, N-(1-(2-(4-Ethyl-4,5-dihydro-5-oxotetrazolyl)ethyl)-4-(methoxymethyl)-4-piperidyl)-N-phenylpropionamid, Propanamide, N-(1-(2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl)-4-(methoxymethyl)-4-piperidinyl)-N-phenyl-, DTXSID9022570, R-39209-, N-[1-[2-(4-Ethyl-5-oxo-2-tetrazolin-1-yl)ethyl]-4-(methoxymethyl)-4-piperidyl]propionanilide, N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide, Limifen, N-(1-(2-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)ethyl)-4-(methoxymethyl)piperidin-4-yl)-N-phenylpropanamide, RefChem:58052, DTXCID302570, N01AH02, R39209, Alfentanilum [INN-Latin], Alfenta, Alfentanil (INN), ALFENTANIL [INN], Alfentanil [INN:BAN], N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide, MLS002320667, Rapifen (TN), HSDB 6789, NCGC00247354-02, SMR001338813, BRN 1188293, UNII-1N74HM2BS7, N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide, DEA No. 9737, ALFENTANIL [MI], N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride, ALFENTANIL [HSDB], ALFENTANIL [VANDF], CHEMBL634, Epitope ID:153516, ALFENTANIL [WHO-DD], SCHEMBL26256, 5-26-13-00110 (Beilstein Handbook Reference), cid_64761, GTPL7108, BDBM83450, DB00802, SB17329, NCGC00247354-01, N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-[(methyloxy)methyl]piperidin-4-yl}-N-phenylpropanamide, NS00010397, C08005, D07122, L001231, Q176533, N-(1-(2-(4-ETHYL-4,5-DIHYDRO-5-OXO-1H-TETRAZOL-1-YL)ETHYL)-4-(METHOXYMETHYL) -4-PIPERIDINYL)-N-PHENYLPROPANAMIDE, N-[1-(2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropionamide, N-[1-[2-(4-ethyl-5-keto-tetrazol-1-yl)ethyl]-4-(methoxymethyl)-4-piperidyl]-N-phenyl-propionamide;hydrochloride, N-[1-[2-(4-ethyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenyl-propanamide;hydrochloride, N-[1-[2-(4-ethyl-5-oxo-1-tetrazolyl)ethyl]-4-(methoxymethyl)-4-piperidinyl]-N-phenylpropanamide;hydrochloride, N-[1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetraazol-1-yl)ethyl]-4-(methoxymethyl)-4-piperidinyl]-N-phenylpropanamide #
Theoretical properties:
molecular_formula: C21H32N6O3
molecular_weight: 416.5 g/mol
exact_mass: 416.25358890 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 9
heavy_atom_count: 30
topological_polar_surface_area: 81.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
{"pubchem": "Alfentanil is a member of the class of piperidines that is piperidine having a 2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl group at the 1-position as well as N-phenylpropanamido- and methoxymethyl groups at the 4-position. It has a role as an opioid analgesic, a central nervous system depressant, an intravenous anaesthetic, a peripheral nervous system drug and a mu-opioid receptor agonist. It is an anilide, an ether, a member of piperidines, a monocarboxylic acid amide, a member of tetrazoles and a tertiary amino compound.", "chebi": "A member of the class of piperidines that is piperidine having a 2-(4-ethyl-5-oxo-4,5-dihydro-1<em>H</em>-tetrazol-1-yl)ethyl group at the 1-position as well as <em>N</em>-phenylpropanamido- and methoxymethyl groups at the 4-position.", "chembl": "ALFENTANIL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Alfentanil, sold under the brand name Alfenta among others, is a potent, short-acting synthetic opioid analgesic drug used for anesthesia in surgery. It is an analogue of fentanyl with around one-fourth to one-tenth the potency, one-third the duration of action, and an onset of action four times faster than that of fentanyl. Alfentanil has a pKa of approximately 6.5, which leads to a very high proportion of the drug being uncharged at physiologic pH, a characteristic responsible for its rapid-onset. It is an agonist of the \u03bc-opioid receptor.\nWhile alfentanil tends to cause fewer cardiovascular complications than other similar drugs such as fentanyl and remifentanil, it tends to give stronger respiratory depression and so requires careful monitoring of breathing and vital signs. Almost exclusively used by anesthesia providers during portions of a case where quick, fast-acting (though not long-lasting) pain control is needed (as, for example, during nerve blocks), alfentanil is administered by the parenteral (injected) route for fast-onset and precise control of dosage.\nDiscovered at Janssen Pharmaceutica in 1976, alfentanil is classified as a Schedule II drug in the United States.\n\n"}