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Dipyrone

CAT: 0926-FD22539-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FD22539-01Size:250 mg
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CAS Number
68-89-3
Synonyms
1-[ (2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl) methylamino]methanesulfonic acid sodium salt; (Antipyrinylmethylamino) met hanesulfonic acid sodium salt; ARPF
Smiles
CC1=C (C (=O) N (N1C) C2=CC=CC=C2) N (C) CS (=O) (=O) [O-].[Na+]
Molecular Formula
C13H16N3NaO4S
Molecular Weight
333.34 g/mol
Controlled
No

Chemical Information

Metamizole Sodium

Metamizole sodium is an organic sodium salt of antipyrine substituted at C-4 by a methyl(sulfonatomethyl)amino group, commonly used as a powerful analgesic and antipyretic. It has a role as a non-narcotic analgesic, an antipyretic, an antirheumatic drug, a peripheral nervous system drug, a prodrug, an anti-inflammatory agent and a cyclooxygenase 3 inhibitor. It contains a metamizole(1-).

CAS Number68-89-3
PubChem CID522325
IUPAC Namesodium [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate
Molecular FormulaC13H16N3NaO4S
Molecular Weight333.34
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity552
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C13H17N3O4S.Na/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h4-8H,9H2,1-3H3,(H,18,19,20);/q;+1/p-1
InChIKey
DJGAAPFSPWAYTJ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Metamizole Sodium
CAS: 68-89-3
CID: 522325
Formula: C13H16N3NaO4S
MW: 333.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass333.07592146
Monoisotopic Mass333.07592146
Topological Polar Surface Area92.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
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CatalogName
010842Dipyrone
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sc-497905Dipyrone-d3
DAG1094Dipyrone [HRP]
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MBS5304337-01Dipyrone-HRP
20-1456Dipyrone antibody
D3755-01Dipyrone (HRP) discontinued
329012Dipyrone sodium hydrate
AP09710PU-NDipyrone Sheep Polyclonal Antibody

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