83-15-8
Product Name:
4-ACETAMIDOANTIPYRINE
Formula:
C13H15N3O2
Synonyms:
N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide;N-Antipyrinylacetamide;4-Acetylaminophenazone;NSC 331807
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Ionization Efficiency | Positive |
|---|---|
| Collision Cross Section | 164.17 Ų [M+Na]+ 154.06 Ų [M+H]+ |
| Kovats Retention Index | 2278 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 245.28 g/mol |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 245.116426730 g/mol |
| Monoisotopic Mass | 245.116426730 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 397 |
| 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
4-acetamidoantipyrine is a member of the class of pyrazoles that is antipyrine substituted by an acetylamino group at position 4. It is a drug metabolite of metamizole. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a member of pyrazoles and a member of acetamides. It is functionally related to an antipyrine.