Home > Compound List > Compound details
68-89-3 molecular structure
click picture or here to close

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

ChemBase ID: 4361
Molecular Formular: C13H16N3NaO4S
Molecular Mass: 333.33861
Monoisotopic Mass: 333.07592129
SMILES and InChIs

SMILES:
S(=O)(=O)([O-])CN(c1c(n(n(c1=O)c1ccccc1)C)C)C.[Na+]
Canonical SMILES:
CN(c1c(C)n(n(c1=O)c1ccccc1)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

Cite this record

CBID:4361 http://www.chembase.cn/molecule-4361.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonate
IUPAC Traditional name
sodium metamizole(1-)
potassium [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)(methyl)amino]methanesulfonate
Brand Name
Alginodia
Algocalmin
Algopyrine
Bonpyrin
Conmel
Di-podil
Dimethone
Diprofarn
Farmolisina
Feverall
Fevonil
Gifaril
Keypyrone
Metapyrin
Methylmelubrin
Metilon
Narone
Neo-melubrine
Neomelurbrin
Nevralgina
Novaldin
Novalgetol
Noveltex
Optalgin
Paralgin
Pharmalgine
Pyralgin
Pyretin
Pyrojec
Sulpin
Sulpyrin
Sulpyrine
Sulpyrinum
Barone
Analgin
Novalgin
Synonyms
Dipyrone
Metamizol monohydrate
Metamizolum natricum [latin]
Methampyrone
Methylaminoantipyrine sodium methanesulfonate
Methylaminophenyldimethylpyrazolone methanesulfonate sodium
Analgine
Analginum
ARPF
Dipyrone
Aminopyrine sodium sulfonate
Dipyrone monohydrate
Metamizole
Metamizole sodique [inn-french]
Metamizole sodium
Metamizolnatrium
Metamizolo sodico [dcit]
Metamizolo [italian]
Metamizolum
Metamizolum natricum [inn-latin]
Metamizol sodico [spanish]
Metamizol
Meamizol sodico [inn-spanish]
安乃近
CAS Number
68-89-3
EC Number
200-694-7
MDL Number
MFCD00020783
PubChem SID
46509035
24894234
160967793
PubChem CID
522325

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
D8890 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa -1.2302347  H Acceptors
H Donor LogD (pH = 5.5) -2.2487726 
LogD (pH = 7.4) -2.2488215  Log P -0.8157939 
Molar Refractivity 78.9195 cm3 Polarizability 30.30252 Å3
Polar Surface Area 83.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 1.07  LOG S -1.76 
Solubility (Water) 5.80e+00 g/l 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
PB1300000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
42/43 expand Show data source
Safety Statements
36 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H317-H334 expand Show data source
GHS Precautionary statements
P261-P280-P342 + P311 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Grade
analytical standard expand Show data source
Linear Formula
C13H16N3O4SNa expand Show data source

DETAILS

DETAILS

DrugBank DrugBank Sigma Aldrich Sigma Aldrich
DrugBank - DB04817 external link
Item Information
Drug Groups withdrawn
Description Dipyrone, formerly marketed as Dimethone tablets and injection, Protemp oral liquid, and other drug products, was associated with potentially fatal agranulocytosis. Approvals of the NDA's for dipyrone drug products were withdrawn on June 27, 1977 (see the Federal Register of June 17, 1977 (42 FR 30893)). Withdrawn from the Canadian market in 1963.
Indication Used in the past as a powerful painkiller and fever reducer.
Pharmacology Dipyrone is a non-steroidal anti-inflammatory drug (NSAID), commonly used in the past as a powerful painkiller and fever reducer.
Affected Organisms
Humans and other mammals
External Links
Wikipedia
Sigma Aldrich - D8890 external link
Biochem/physiol Actions
A non-steroidal anti-inflammatory drug that, when coadministered with morphine, potentiates its antinociceptive action and delays the development of tolerance. Dipyrone is a relatively selective inhibitor of cyclooxygenase-3 (COX-3), with lower activity against COX-1 and no activity against COX-2. Blocks PGE2-induced hyperalgesia in several models.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle