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Dantrolene

CAT: 0572-TRC-D184995-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D184995-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7261-97-4
Synonyms
Dantrolen; 2,4-Imidazolidinedione, 1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-; Hydantoin, 1-[[5-(p-nitrophenyl)furfurylidene]amino]- (8CI); 1-[[[5-(4-Nitrophenyl)-2-furanyl]methylene]amino]-2,4-imidazolidinedione; 1-[[5-(p-Nitrophenyl)furfurylidene]amino]hydantoin; Dantrolene; F 368
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
[O-][N+](=O)c1ccc(cc1)c2oc(\C=N\N3CC(=O)NC3=O)cc2
Molecular Formula
C14 H10 N4 O5
Molecular Weight
314.25
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+
Additionnal Information
IUPAC name: 1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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

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