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Dantrolene

CAT: 0013-GTR19157916-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157916-04Size:25 mg
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Description
Dantrolene is a postsynaptic muscle relaxant by inhibiting Ca2+ ions release from sarcoplasmic reticulum stores by antagonizing ryanodine receptors.
CAS Number
7261-97-4
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : ≥ 20 mg/mL (63.64 mM)
Smiles
[O-][N+] (=O) c1ccc (cc1) -c1ccc (C=NN2CC (=O) NC2=O) o1
Molecular Formula
C14H10N4O5
Molecular Weight
314.25
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Dantrolene

Crystals (in aqueous DMF). (NTP, 1992)

CAS Number7261-97-4
PubChem CID6914273
IUPAC Name1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Molecular FormulaC14H10N4O5
Molecular Weight314.25
XLogP1.7
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity524
SMILES
C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
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)/b15-7+
InChIKey
OZOMQRBLCMDCEG-VIZOYTHASA-N
Chemical Structure
2D Structure
2D structure of Dantrolene
CAS: 7261-97-4
CID: 6914273
Formula: C14H10N4O5
MW: 314.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.25
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass314.06511943
Monoisotopic Mass314.06511943
Topological Polar Surface Area121 Ų
Heavy Atom Count23
Formal Charge0
Complexity524
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3594-5.1Dantrolene
HY-W748412-01Dantrolene-d4

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