Dantrolene

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Systematic / IUPAC Name: 1-({[5-(4-Nitrophenyl)-2-furyl]methylene}amino)-2,4-imidazolidinedione

ID: Reference7251

Other Names: Dantrolenum;
1-{[5-(p-Nitrophenyl)furfurylidene]amino}hydantoin ;
1-({[5-(4-Nitrophenyl)-2-furyl]methylene}amino)imidazolidine-2,4-dione;
2,4-Imidazolidinedione, 1-({[5-(4-nitrophenyl)-2-furanyl]methylene}amino)-

Formula: C14H10N4O5

Class: Therapeutics/Prescription Drugs

Spectral Data

Dantrolene mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/12/2018 6:44:24 AM
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Identificators

InChI InChI=1S/C14H10N4O5/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)
InChI Key OZOMQRBLCMDCEG-UHFFFAOYSA-N
Canonical SMILES
CAS
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Other Names Dantrolenum;
1-{[5-(p-Nitrophenyl)furfurylidene]amino}hydantoin ;
1-({[5-(4-Nitrophenyl)-2-furyl]methylene}amino)imidazolidine-2,4-dione;
2,4-Imidazolidinedione, 1-({[5-(4-nitrophenyl)-2-furanyl]methylene}amino)-

In Other Databases

ChemSpider 2847
HMDb HMDB15350
PubChem 2952
KEGG C06939
ChEMBL CHEMBL1741132
DrugBank DB01219
ChEBI CHEBI:4317
Wikipedia Dantrolene