Metamizole sodium - CAS 68-89-3

Name: Metamizole sodium
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB033654
Product Name:	Metamizole sodium
CAS:	68-89-3
Synonyms:	dipyrone; Metamizole sodium; Analgin; Methampyrone
Application:	Antipyretics

Technical Data

IUPAC Name:	sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate
Description:	metamizole sodium is a non-steroidal anti-inflammatory drug (NSAID) with a selective inhibitory activity in COX-3 used for the treatment of acute pain.
Molecular Weight:	333.34
Molecular Formula:	C13H16N3NaO4S
Canonical 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
InChI Key:	DJGAAPFSPWAYTJ-UHFFFAOYSA-M
Melting Point:	187 °C
Purity:	> 98 %
Density:	1.388 g/cm³
Appearance:	White to light yellow crystalline powder
MDL:	MFCD00020783
LogP:	1.50410
Quality Standard:	EP USP

GHS Hazard Statement:	H361 (83.62%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement:	P201, P202, P273, P281, P308+P313, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113200917-A	Purification method of 4-aminoantipyrine	20210521
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PMID	Publication Date	Title	Journal
31356851	20191001	Toxicity of metamizole on differentiating HL60 cells and human neutrophil granulocytes	Toxicology
26141506	20150905	Citronellol, a natural acyclic monoterpene, attenuates mechanical hyperalgesia response in mice: Evidence of the spinal cord lamina I inhibition	Chemico-biological interactions
23872152	20130925	Synergistic effect of the L-tryptophan and kynurenic acid with dipyrone or paracetamol in mice	Chemico-biological interactions
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
22917546	20121201	High-performance liquid chromatographic assay for metamizol metabolites in rat plasma: application to pharmacokinetic studies	Journal of pharmaceutical and biomedical analysis

Complexity:	552
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	333.07592146
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	333.07592146
Rotatable Bond Count:	4
Topological Polar Surface Area:	92.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0