etorphine

Ligand id: 1625

Name: etorphine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 62.16
Molecular weight 411.24
XLogP 2.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
International Nonproprietary Names
INN number INN
2288 etorphine
Database Links
CAS Registry No. 14521-96-1 (source: Scifinder)
ChEBI CHEBI:4912
ChEMBL Ligand CHEMBL1908334
GtoPdb PubChem SID 135650246
PubChem CID 518962
Search Google for chemical match using the InChIKey CAHCBJPUTCKATP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CAHCBJPUTCKATP
Search PubMed clinical trials etorphine
Search PubMed titles etorphine
Search PubMed titles/abstracts etorphine
Search UniChem for chemical match using the InChIKey CAHCBJPUTCKATP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CAHCBJPUTCKATP
Wikipedia Etorphine
Comments
There is some ambiguity in the literature and on other online resources as to the exact structure and stereochemistry of etorphine. The structure shown here does not specify stereochemistry and corresponds to the PubChem entry linked to above. Activity data in PubChem is distributed across several CIDs representing slight chiral variations in the molecule. Please note that the ChEBI and ChEMBL entries linked to above do specify stereochemistry and represent the structure differently to us.