dihydroergocryptine

Ligand id: 282

Name: dihydroergocryptine

Abbreviated name: DHC

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 114.45
Molecular weight 577.33
XLogP 3.11
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide
Synonyms
dihydroergokryptine
Comments
ChEMBL entry CHEMBL1743263 represents an alternative stereochemistry for this compound.
Database Links
GtoPdb PubChem SID 135650181
PubChem CID 522609
Search Google for chemical match using the InChIKey PBUNVLRHZGSROC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PBUNVLRHZGSROC
Search UniChem for chemical match using the InChIKey PBUNVLRHZGSROC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PBUNVLRHZGSROC
Wikipedia Dihydroergocryptine