alfentanil   

GtoPdb Ligand ID: 7108

Synonyms: Alfenta® | R-39209 | Rapifen®
alfentanil is an approved drug (FDA (1986))
Compound class: Synthetic organic
Comment: Alfentanil is an opioid analgesic.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 85.49
Molecular weight 416.25
XLogP 1.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COCC1(CCN(CC1)CCn1nnn(c1=O)CC)N(c1ccccc1)C(=O)CC
Isomeric SMILES COCC1(CCN(CC1)CCn1nnn(c1=O)CC)N(c1ccccc1)C(=O)CC
InChI InChI=1S/C21H32N6O3/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
InChI Key IDBPHNDTYPBSNI-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1986))
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
International Nonproprietary Names
INN number INN
4818 alfentanil
Synonyms
Alfenta® | R-39209 | Rapifen®
Comments
Alfentanil is an opioid analgesic.
Database Links
CAS Registry No. 71195-58-9
ChEMBL Ligand CHEMBL634
DrugBank Ligand DB00802
DrugCentral Ligand 114
GtoPdb PubChem SID 178103685
PubChem CID 51263
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