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5-Hydroxy Dantrolene

CAT: 0572-TRC-H825175-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H825175-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52130-25-3
Hazard Statement
May cause drowsiness or dizziness
Purity
>95% (HPLC)
Smiles
OC1N(\N=C\c2oc(cc2)c3ccc(cc3)[N+](=O)[O-])C(=O)NC1=O
Molecular Formula
C14 H10 N4 O6
Molecular Weight
330.25
InChI
InChI=1S/C14H10N4O6/c19-12-13(20)17(14(21)16-12)15-7-10-5-6-11(24-10)8-1-3-9(4-2-8)18(22)23/h1-7,13,20H,(H,16,19,21)/b15-7+
Additionnal Information
IUPAC name: 5-hydroxy-1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-Hydroxydantrolene

5-Hydroxydantrolene is an imidazolidine-2,4-dione.

CAS Number52130-25-3
PubChem CID9577331
IUPAC Name5-hydroxy-1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Molecular FormulaC14H10N4O6
Molecular Weight330.25
XLogP1.1
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity554
SMILES
C1=CC(=CC=C1C2=CC=C(O2)/C=N/N3C(C(=O)NC3=O)O)[N+](=O)[O-]
InChI
InChI=1S/C14H10N4O6/c19-12-13(20)17(14(21)16-12)15-7-10-5-6-11(24-10)8-1-3-9(4-2-8)18(22)23/h1-7,13,20H,(H,16,19,21)/b15-7+
InChIKey
PGORTQZSSAZLCK-VIZOYTHASA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxydantrolene
CAS: 52130-25-3
CID: 9577331
Formula: C14H10N4O6
MW: 330.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.25
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass330.06003405
Monoisotopic Mass330.06003405
Topological Polar Surface Area141 Ų
Heavy Atom Count24
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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