Remifentanil hydrochlorideProduct ingredient for Remifentanil

Name
Remifentanil hydrochloride
Drug Entry
Remifentanil

Remifentanil (marketed by Abbott as Ultiva) is a potent ultra short-acting synthetic opioid given to patients during surgery for pain relief and adjunctive to an anaesthetic. Remifentanil is a specific mu-type-opioid receptor agonist which means it reduces sympathetic nervous system tone, and causes respiratory depression and analgesia.

Accession Number
DBSALT001450
Structure
Synonyms
Remifentanil HCl
UNII
5V444H5WIC
CAS Number
132539-07-2
Weight
Average: 412.91
Monoisotopic: 412.1764997
Chemical Formula
C20H29ClN2O5
InChI Key
WFBMIPUMYUHANP-UHFFFAOYSA-N
InChI
InChI=1S/C20H28N2O5.ClH/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2;/h5-9H,4,10-15H2,1-3H3;1H
IUPAC Name
methyl 1-(3-methoxy-3-oxopropyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate hydrochloride
SMILES
Cl.CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC
ChemSpider
54802
ChEBI
32091
ChEMBL
CHEMBL1201120
Wikipedia
Remifentanil
Predicted Properties
PropertyValueSource
Water Solubility0.591 mg/mLALOGPS
logP1.75ALOGPS
logP1.52Chemaxon
logS-2.8ALOGPS
pKa (Strongest Basic)7.51Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area76.15 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity100.56 m3·mol-1Chemaxon
Polarizability40.14 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon