50567-35-6
Product Name:
[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulphonic acid
Formula:
C13H17N3O4S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 311.36 g/mol |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 311.09397721 g/mol |
| Monoisotopic Mass | 311.09397721 g/mol |
| Topological Polar Surface Area | 89.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 546 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Metamizole is a pyrazole that is antiipyrine substituted at C-4 by a methyl(sulfomethyl)amino group, the sodium salt of which, metamizole sodium, was widely used as a powerful analgesic and antipyretic, but withdrawn from many markets from the 1970s due to a risk of causing risk of causing agranulocytosis. It has a role as an antipyretic, an antirheumatic drug, a non-narcotic analgesic, a peripheral nervous system drug, a prodrug, a cyclooxygenase 3 inhibitor and an anti-inflammatory agent. It is a member of pyrazoles and an amino sulfonic acid. It is functionally related to an antipyrine. It is a conjugate acid of a metamizole(1-).