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Dantrolene sodium salt

CAT: 0862-GP0222-5gSize: 5 gDry Ice: NoHazardous: No
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CAT#:0862-GP0222-5gSize:5 g
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CAS Number
14663-23-1
EC Number
238-706-8
MDL Number
MFCD00079130
HS Code
29349990900
Purity
98.00%
Molecular Formula
C14H9N4NaO5 · xH2O
Molecular Weight
336.23 (anhydrous)
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

Dantrolene Sodium

Dantrolene sodium (anhydrous) is the anhydrous sodium salt of dantrolene. It contains a dantrolene(1-).

CAS Number14663-23-1
PubChem CID6604100
IUPAC Namesodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate
Molecular FormulaC14H9N4NaO5
Molecular Weight336.23
Topological Polar Surface Area127
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity536
SMILES
C1C(=NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+]
InChI
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
Chemical Structure
2D Structure
2D structure of Dantrolene Sodium
CAS: 14663-23-1
CID: 6604100
Formula: C14H9N4NaO5
MW: 336.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.23
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass336.04706368
Monoisotopic Mass336.04706368
Topological Polar Surface Area127 Ų
Heavy Atom Count24
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B6329-5.1Dantrolene, sodium salt
sc-202124Dantrolene sodium salt
TRC-D185000-100MGDantrolene Sodium Salt Hemiheptahydrate
sc-218075Dantrolene, Sodium Salt Hemiheptahydrate
D1042-01Dantrolene Sodium Salt, Anhydrous
436660-015-Hydroxy Dantrolene Sulfate Sodium Salt
255103Dantrolene, sodium salt discontinued. See D1042
445779-01Dantrolene, sodium salt discontinued. See 273754
271217-01Dantrolene sodium salt hemiheptahydrate discontinued. See D1042
273754-01Dantrolene Sodium Salt, Anhydrous discontinued. See D1042

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