40828-46-4
Product Name:
Suprofen
Formula:
C14H12O3S
Synonyms:
α-Methyl-p-(2-thenoyl)phenylacetic acid;(±)-Suprofen;2-[4-(Thiophene-2-carbonyl)phenyl]propanoic acid;NSC 303611;p-(2-Thenoyl)hydratropic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 124.3 °C |
| Solubility | limited solubility |
| LogP | 2.2 |
| Dissociation Constants | 4.3 |
| Collision Cross Section | 157.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 260.31 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 260.05071541 g/mol |
| Monoisotopic Mass | 260.05071541 g/mol |
| Topological Polar Surface Area | 82.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 321 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Suprofen is an aromatic ketone that is thiophene substituted at C-2 by a 4-(1-carboxyethyl)benzoyl group. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, an antirheumatic drug, a peripheral nervous system drug and a drug allergen. It is a member of thiophenes, a monocarboxylic acid and an aromatic ketone.