Back to Search
Molecule
Dipyrone
CAS: 68-89-3 · C13H17N3NaO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 68-89-3
- Molecular Formula
- C13H17N3NaO4S
- Molecular Mass
- 334.35 g/mol
Identifiers
CAS Registry Number
68-89-3
SMILES
Cc1c(N(C)CS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C.[Na]
InChI Key
CEOUXRNZHGKECQ-UHFFFAOYSA-N
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);
Names and Synonyms
- Dipyrone Common Name
- Methanesulfonic acid, 1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, sodium salt (1:1) Synonym
- Methanesulfonic acid, (antipyrinylmethylamino)-, sodium salt Synonym
- Methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]-, sodium salt Synonym
- Dipyrone Synonym
- Analgin Synonym
- Metamizol Synonym
- Methylmelubrin Synonym
- Noramidopyrine methanesulfonate sodium salt Synonym
- Novalgin Synonym
- Novaminsulfone sodium Synonym
- Pyralgine Synonym
- Pyretin (pharmaceutical) Synonym
- Sulpyrine Synonym
- Sulpyrin Synonym
- Novamidazophen Synonym
- Sodium 1-phenyl-2,3-dimethyl-5-pyrazolone-4-methylaminomethanesulfonate Synonym
- Sodium noramidopyrine methanesulfonate Synonym
- Novaminsulfonum Synonym
- Novaminophenazone Synonym
- Sodium (antipyrinylmethylamino)methanesulfonate Synonym
- Metilon Synonym
- Noramidopyrine methanesulfonate sodium Synonym
- Sodium novaminsulfonate Synonym
- Novaminsulfonium Synonym
- Neo-melubrine Synonym
- Noveltex Synonym
- Pharmalgine Synonym
- Sulpin Synonym
- ARPF Synonym
- Optalgin Synonym
- Diprofarn Synonym
- Noraminophenazone methanesulfonate sodium salt Synonym
- Methampyrone Synonym
- Novalgetol Synonym
- Novaminsulfone Synonym
- Metamizole Synonym
- Narone Synonym
- Gifaril Synonym
- Metapyrin Synonym
- Metamizole sodium Synonym
- Pyretin Synonym
- Methamizole sodium Synonym
- Algopyrin Synonym
- Algocalmin Synonym
- Conmel Synonym
- Noraminophenazone sodium mesylate Synonym
- Analgine Synonym
- Andolor Synonym
- Lisador Synonym
- Anador Synonym
- Sodium metamizole Synonym
- Metamizole sodium salt Synonym
- Restriva Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 334.35 g/mol | CAS Common Chemistry |
| 334.35300000000007 g/mol | RDKit | |
| 334.353 g/mol | RDKit | |
| 335.354 g/mol | chempirical lib | |
| Density | 1.39 g/cm³ | CAS Common Chemistry |
| 1.388 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Na].O=C1C(=C(N(N1C=2C=CC=CC2)C)C)N(C)CS(=O)(=O)O | CAS Common Chemistry |
| 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); | CAS Common Chemistry |
| InChI Key | InChIKey=CEOUXRNZHGKECQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dipyrone | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| 4 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 84.54000000000002 Ų | RDKit |
| 84.54 Ų | RDKit | |
| LogP | 0.3851199999999997 | RDKit |
| 0.3851 | RDKit | |
| Molar Refractivity | 86.31960000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3077 | RDKit |
| 0.31 | chempirical lib | |
| Exact Mass | 334.08374630400004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 334.35 g/mol; density = 1.390 g/mL. Edit any field — others recompute live.
