[3H]rauwolscine

Ligand id: 223

Name: [3H]rauwolscine    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 65.56
Molecular weight 354.19
XLogP 2.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Comments
Please note that the structure shown here does not specify the position of the tritiated hydrogen atoms.
Database Links
GtoPdb PubChem SID 135651198
PubChem CID 643606
Search Google for chemical match using the InChIKey BLGXFZZNTVWLAY-DIRVCLHFSA-N
Search Google for chemicals with the same backbone BLGXFZZNTVWLAY
Search UniChem for chemical match using the InChIKey BLGXFZZNTVWLAY-DIRVCLHFSA-N
Search UniChem for chemicals with the same backbone BLGXFZZNTVWLAY