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
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
Comments
ChEMBL entry CHEMBL1743263 represents an alternative stereochemistry for this compound.