pethidine   Click here for help

GtoPdb Ligand ID: 7221

Synonyms: Demerol® | meperidine
Approved drug
pethidine is an approved drug (FDA (1942))
Compound class: Synthetic organic
Comment: Meperidine is an opioid analgesic.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 29.54
Molecular weight 247.16
XLogP 2.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOC(=O)C1(CCN(CC1)C)c1ccccc1
Isomeric SMILES CCOC(=O)C1(CCN(CC1)C)c1ccccc1
InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
InChI Key XADCESSVHJOZHK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1942))
IUPAC Name Click here for help
ethyl 1-methyl-4-phenylpiperidine-4-carboxylate
International Nonproprietary Names Click here for help
INN number INN
411 pethidine
Synonyms Click here for help
Demerol® | meperidine
Database Links Click here for help
CAS Registry No. 57-42-1
ChEMBL Ligand CHEMBL607
DrugBank Ligand DB00454
DrugCentral Ligand 1690
GtoPdb PubChem SID 178103795
PubChem CID 4058
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Wikipedia Pethidine