57-96-5
Product Name:
(+/-)-Sulfinpyrazone
Formula:
C23H20N2O3S
Synonyms:
(±)-Sulfinpyrazone;1,2-Diphenyl-4-(phenylsulfinylethyl)-3,5-pyrazolidinedione;Diphenylpyrazone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | WHITE TO OFF-WHITE |
| Melting Point | 136-137 °C |
| Solubility | >60.7 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 2.3 |
| Stability/Shelf Life | STABLE TO LIGHT & AIR |
| Dissociation Constants | 3.25 |
| Collision Cross Section | 193.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | CRYSTALS FROM CHLOROFORM & HEPTANE; CRYSTALS FROM ETHANOL /D-FORM/; CRYSTALS /L-FORM/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 404.5 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 404.11946368 g/mol |
| Monoisotopic Mass | 404.11946368 g/mol |
| Topological Polar Surface Area | 76.9 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 571 |
| 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
Sulfinpyrazone is a sulfoxide and a member of pyrazolidines. It has a role as a uricosuric drug.