Basic information
- CAS
2139-47-1- Standard SMILES
Cc1c(NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C- InChIKey
BRZANEXCSZCZCI-UHFFFAOYSA-N- Molecular formula
- C17H16N4O2
- Average molar mass
- 308.33 g/mol
- Monoisotopic mass
- 308.12732577
Overview
Nifenazone is a member of pyrazoles and a ring assembly.
Names & identifiers
- Preferred name
- Nifenazone
- IUPAC
- N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyridine-3-carboxamide
- English name
- 1,5-DIMETHYL-4-NICOTINAMIDO-2-PHENYL-3-PYRAZOLONE
- Molecular formula
- C17H16N4O2
- Molecular weight
- 308.33
Names & synonyms
nifenazone2139-47-1NiapyrinNicophezonNikofezonN-AntipyrinylnicotinamideNifenazonaNifenazonumDTXSID7045366NSC-7584118780F0K71UN-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)pyridine-3-carboxamide
Show more names
nicoronnikodonPiralgonicazanenicodonenicozoneDolongan
DTXCID5025366RefChem:854136M02AA24N02BB05218-387-1PhenicazoneNifenazonThylin
Database identifiers
- CAS
2139-47-1- PubChem CID
- 4487
- DTXSID
DTXSID7045366- ChEMBL
CHEMBL1413176- ChEBI
CHEBI:31910- UNII
- 8780F0K71U
- EC Number
- 218-387-1
- Nikkaji
- J7.334B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 511
Experimental & physicochemical properties
Solubility45.2 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section
172.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
168.59 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 252 · 252-253° (also reported as mp 256-258°)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 10.21 · 10.21±0.20(Predicted)
- form
- Solid
- color
- Pale Orange
- FDA UNII
- 8780 F0K71U · 8780F0K71U
- ATC code
- 2 AA24,N02BB05 · M02AA24,N02BB05
- WGK Germany
- 2 · 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 2
- rtecs
- QS4005000
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
M - Musculo-skeletal system
QN - Nervous system
QM - Musculo-skeletal system
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Applications
Usesanalgesic, antiinflammatory
UsesNifenazone is a drug that has been used as an analgesic for a number of rheumatic conditions.
Suppliers32 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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