Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0411)
Drug Name
Dantrolene sodium
Synonyms
Dantamacrin; Dantrix; Dantrolene (sodium); Dantrolene Sodium (anhydrous); Dantrolene sodium [USAN:BAN:JAN]; Dantrolene sodium anhydrous; Dantrolene sodium hemiheptahydrate; Dantrolene sodium salt; Dantrolene, Sodium Salt; EINECS 238-706-8; F-440; MFCD00079130; Sodium dantrolene; UNII-28F0G1E0VF; 1-((5-(p-Nitrophenyl)furfurylidene)amino)hydantoin sodium; 14663-23-1; 2,4-Imidazolidinedione, 1-(((5-(4-nitrophenyl)-2-furanyl)methylene)amino)-, sodium salt; 28F0G1E0VF
Indication Anaesthesia [ICD11: 8E22] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 336.23 Topological Polar Surface Area 127
Heavy Atom Count 24 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
6604100
ChEBI ID
CHEBI:4318
CAS Number
14663-23-1
TTD Drug ID
D0I8DD
Formula
C14H9N4NaO5
Canonical SMILES
C1C(=NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+]
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+;
InChIKey
KSRLIXGNPXAZHD-HAZZGOGXSA-M
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
5-hydroxydantrolene DM001876
9577331
Unclear 1 [3]
Aminodantrolene DM001877
9570289
Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003209 Dantrolene sodium 5-hydroxydantrolene Unclear Unclear [3]
MR003208 5-hydroxydantrolene Aminodantrolene Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Dantrolene Sodium was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
3 Dantrolene sodium: urinary metabolites and hepatotoxicity Res Commun Chem Pathol Pharmacol. 1983 Mar;39(3):381-98.

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