DANTROLENE SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 287M0347EV
EPA CompTox DTXSID401017218
Parent Compound: DANTROLENE

Structure

InChI Key KSRLIXGNPXAZHD-HAZZGOGXSA-M
Smiles 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

Mechanism of Action Action Reference
Ryanodine receptor 1 antagonist ANTAGONIST PubMed PubMed PubMed PubMed
Ryanodine receptor 3 antagonist ANTAGONIST 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
- - - - 111.74-114.28
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 111.74-114.28
Homo sapiens
- - - - 13
Rattus norvegicus
- - - -

Cross References

Resources Reference
CAS NUMBER 24868-20-0
ChEMBL CHEMBL928
FDA SRS 287M0347EV
KEGG C07933
PubChem 9568637
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