Alfentanil hydrochlorideProduct ingredient for Alfentanil

Name
Alfentanil hydrochloride
Drug Entry
Alfentanil

A short-acting opioid anesthetic and analgesic derivative of fentanyl. It produces an early peak analgesic effect and fast recovery of consciousness. Alfentanil is effective as an anesthetic during surgery, for supplementation of analgesia during surgical procedures, and as an analgesic for critically ill patients.

Accession Number
DBSALT001202
Structure
Synonyms
Alfentanil HCl
UNII
11S92G0TIW
CAS Number
70879-28-6
Weight
Average: 471.0
Monoisotopic: 470.2408313
Chemical Formula
C21H35ClN6O4
InChI Key
YYESXRRYBUERKF-UHFFFAOYSA-N
InChI
InChI=1S/C21H32N6O3.ClH.H2O/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26;;/h6-10H,4-5,11-17H2,1-3H3;1H;1H2
IUPAC Name
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 hydrate hydrochloride
SMILES
O.Cl.CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)C2=CC=CC=C2)C1=O
ChemSpider
58296
Wikipedia
Alfentanil
Predicted Properties
PropertyValueSource
Water Solubility0.252 mg/mLALOGPS
logP2.2ALOGPS
logP2.81Chemaxon
logS-3.2ALOGPS
pKa (Strongest Basic)7.5Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area81.05 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity118.59 m3·mol-1Chemaxon
Polarizability44.72 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon