DANTROLENE SODIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (1974)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 28F0G1E0VF
Parent Compound: DANTROLENE

Structure
InChI Key KSRLIXGNPXAZHD-HAZZGOGXSA-M
Smile O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+]
InChI
InChI=1S/C14H10N4O5.Na/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;/h1-7H,8H2,(H,16,19,20);/q;+1/p-1/b15-7+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H9N4NaO5
Molecular Weight 336.24
AlogP 1.74
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 118.05
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Ryanodine receptor 1 antagonist PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 112

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Drug-Related Side Effects and Adverse Reactions 2 D064420 ClinicalTrials
Heat Stroke 2 D018883 ClinicalTrials
Wolfram Syndrome 1 D014929 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Respiratory, thoracic and mediastinal disorders
15.57
General disorders and administration site conditions
13.32
Injury, poisoning and procedural complications
10.66
Nervous system disorders
9.43
Vascular disorders
7.58
Cardiac disorders
7.07
Gastrointestinal disorders
5.33
Skin and subcutaneous tissue disorders
4.1
Metabolism and nutrition disorders
4.0
Musculoskeletal and connective tissue disorders
3.59
Psychiatric disorders
3.38
Investigations
3.18
Infections and infestations
2.87
Immune system disorders
2.25

Cross References

Resources Reference
ChEMBL CHEMBL928
FDA SRS 28F0G1E0VF
KEGG C07933
PubChem 9568637
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