Dipyrone (CED0005456)

Record Information

Version

1.0

Creation Date

2016-05-22 03:26:40 UTC

Update Date

2026-04-03 09:08:03 UTC

Accession Number

CHEM016300

Identification

Common Name

Dipyrone

Class

Small Molecule

Description

Dipyrone is an organic compound with the chemical formula C13H16N3NaO4S and an average molecular weight of 333.34 g/mol. Dipyrone belongs to the pyrazoles, a subclass of azoles within the organic compounds. In biological contexts, the compound serves as an analgesic (PMC11124379). Dipyrone is found in or released from 10 recorded sources. Within the category of electrical and electronic equipment, it is associated with magnets, antennas, electric hearing aids, auxiliary devices, and line transmission systems. It is also found in household items such as key rings and in household cleaning and consumer products, specifically soap dispensers and non electric simulated smoking devices. Additionally, the compound is recorded in building and construction materials, specifically stairs and ramps, as well as in food, food processing and cookware relating to the preparation of wine or sparkling wine.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Algocalmin	ChEBI
Aminopyrine sodium sulfonate	ChEBI
Analgin	ChEBI
Analgin (sodium salt)	ChEBI
Dipyrone	ChEBI
Meamizol sodico	ChEBI
Metamizole sodique	ChEBI
Metamizolum natricum	ChEBI
Methampyrone	ChEBI
Methylmelubrin	ChEBI
Mexican aspirin	ChEBI
Neomelurbrin	ChEBI
Noraminophenazone methanesulfonate sodium salt	ChEBI
Noraminophenazone sodium mesylate	ChEBI
Novalgin	ChEBI
Sodium (antipyrinylmethylamino)methanesulfonate	ChEBI
Sodium methylaminoantipyrine methanesulfonate	ChEBI
Sodium noramidopyrine methanesulfonate	ChEBI
Sulpyrine	ChEBI
Vetalgin	ChEBI
Metamizole sodium	Kegg
Aminopyrine sodium sulfonic acid	Generator
Aminopyrine sodium sulphonate	Generator
Aminopyrine sodium sulphonic acid	Generator
Noraminophenazone methanesulfonic acid sodium salt	Generator
Noraminophenazone methanesulphonate sodium salt	Generator
Noraminophenazone methanesulphonic acid sodium salt	Generator
Noraminophenazone sodium mesylic acid	Generator
Sodium (antipyrinylmethylamino)methanesulfonic acid	Generator
Sodium (antipyrinylmethylamino)methanesulphonate	Generator
Sodium (antipyrinylmethylamino)methanesulphonic acid	Generator
Sodium methylaminoantipyrine methanesulfonic acid	Generator
Sodium methylaminoantipyrine methanesulphonate	Generator
Sodium methylaminoantipyrine methanesulphonic acid	Generator
Sodium noramidopyrine methanesulfonic acid	Generator
Sodium noramidopyrine methanesulphonate	Generator
Sodium noramidopyrine methanesulphonic acid	Generator
Novalgetol	MeSH
Novamidazophen	MeSH
Biopyrin	MeSH
Methanesulfonate sodium, noramidopyrine	MeSH
Methanesulfonate, noramidopyrine	MeSH
Noramidopyrine methanesulfonate	MeSH
Novaminsulfone	MeSH
Optalgin	MeSH
Pyralgin	MeSH
Dipyronium	MeSH
Methamizole	MeSH
Narone	MeSH
Sulpyrin	MeSH
Algopyrin	MeSH
Metamizol	MeSH
Noramidopyrine methanesulfonate sodium	MeSH
Normelubrine	MeSH

Chemical Formula

C₁₃H₁₆N₃NaO₄S

Average Molecular Mass

333.339 g/mol

Monoisotopic Mass

333.076 g/mol

CAS Registry Number

68-89-3

IUPAC Name

sodium [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonate

Traditional Name

sodium metamizole(1-)

SMILES

[Na+].CN(CS([O-])(=O)=O)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1

InChI Identifier

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

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylpyrazoles. Phenylpyrazoles are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Azoles

Sub Class

Pyrazoles

Direct Parent

Phenylpyrazoles

Alternative Parents

Substituents

Phenylpyrazole
Dialkylarylamine
Monocyclic benzene moiety
Pyrazolinone
Benzenoid
Organic sulfonic acid or derivatives
Organosulfonic acid or derivatives
Organosulfonic acid
Sulfonyl
Alkanesulfonic acid
Vinylogous amide
Heteroaromatic compound
Lactam
Organic alkali metal salt
Azacycle
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic salt
Organosulfur compound
Organic oxygen compound
Organic sodium salt
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

organic sodium salt (CHEBI:59033 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

analgesic

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	5.8 g/L	ALOGPS
logP	1.07	ALOGPS
logP	-0.82	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	-1.2	ChemAxon
pKa (Strongest Basic)	-0.44	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	83.99 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	78.92 m³·mol⁻¹	ChemAxon
Polarizability	31.11 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-0a4i-9210000000-0afef355301fc17c2ab5	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-066r-9120000000-b465330a1885c099bc73	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-03e9-3950000000-68aa296020d535c13e5a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-008a-0589000000-b2e06a3bc03abe2c7ad1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001l-2390000000-f96215f9805484d3d245	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-006x-9700000000-723448621b6d4d8c57ad	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-3903000000-2a615794737c974d93b0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001r-2893000000-f8d185e5d45c2b2b7599	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00l6-9510000000-0f180ea4f7628f16bdbc	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2046.0	Log mg/kg	[1200:3600]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
500	Stairs And Ramps	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
559	Non Electric Simulated Smoking Devices	Household cleaning & consumer products	Not Available
564	Soap Dispensers	Household cleaning & consumer products	Not Available
573	Key Rings	Household items	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
601	Lawn Mowers	Agriculture & land management	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	Not Available
651	Purses Money Bags Wallets	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
658	Touch Fasteners	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Sterol 24-C-methyltransferase	O74198	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	0.311397
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	317.236
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	297.462
Click to view 3D structure	PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	P96878	Mycobacterium tuberculosis	Predicted (SEA)	99.9584
Click to view 3D structure	fMet-Leu-Phe receptor	P21462	Humans	Predicted (SEA)	185.748
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	2444.62
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	1374.82
Click to view 3D structure	Hepatocyte growth factor receptor	P08581	Humans	Predicted (SEA)	3536.15
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	203.654
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	3205.99
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	1842.38
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	2164.6
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	2025.56
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	2989.8
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	2387.48
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	3447.79
Click to view 3D structure	Insulin-like growth factor 1 receptor	P08069	Humans	Predicted (SEA)	3707.57
Click to view 3D structure	Tyrosyl-DNA phosphodiesterase 2	O95551	Humans	Predicted (SEA)	93.1855
Click to view 3D structure	Pyruvate carboxylase	A0A0H3JRU9	Staphylococcus aureus (strain Mu50 / ATCC 700699)	Predicted (SEA)	40.7151
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 7	P35236	Humans	Predicted (SEA)	690.133
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	2778.67
Click to view 3D structure	Phosphoethanolamine/phosphocholine phosphatase	Q8TCT1	Humans	Predicted (SEA)	31.6068
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	500.648
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	3475.34
Click to view 3D structure	Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	Q9BHT9	Plasmodium berghei	Predicted (SEA)	373.053