General
Preferred name
dantrolene
Synonyms
P&D ID
PD009956
CAS
14663-23-1
7261-97-4
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Dantrolene is classified as a direct-acting skeletal muscle relaxant. Dantrolene depresses excitation-contraction coupling in skeletal muscle by binding to the ryanodine receptor 1, and decreasing intracellular calcium concentration. It is used for the management of the fulminant hypermetabolism of skeletal muscle characteristic of malignant hyperthermia crises in patients of all ages. (Enamine Bioactive Compounds)
Compound Sets
5
DrugMatrix
Enamine Bioactive Compounds
EBC-08773
Enamine BioReference Compounds
NIH Clinical Collections (NCC)
Other bioactive compounds
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
314.07
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
2
cLogP
1.74
TPSA
118.05
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data