[3H]pregnenolone sulphate

Ligand id: 6504

Name: [3H]pregnenolone sulphate    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 89.05
Molecular weight 396.2
XLogP 3.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Synonyms
[3H]-pregnenolone sulfate
Database Links
ChEMBL Ligand CHEMBL1179605
PubChem CID 105074
Search Google for chemical match using the InChIKey DIJBBUIOWGGQOP-QGVNFLHTSA-N
Search Google for chemicals with the same backbone DIJBBUIOWGGQOP
Search UniChem for chemical match using the InChIKey DIJBBUIOWGGQOP-QGVNFLHTSA-N
Search UniChem for chemicals with the same backbone DIJBBUIOWGGQOP
Comments
The position of the radiolabelled hydrogen atom in this compound is unspecified.