Basic information
- CAS
18046-21-4- Standard SMILES
O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1- InChIKey
JIEKMACRVQTPRC-UHFFFAOYSA-N- Molecular formula
- C17H12ClNO2S
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 329.0277275
Overview
2-[4-(4-chlorophenyl)-2-phenyl-5-thiazolyl]acetic acid is a member of thiazoles.
Names & identifiers
- Preferred name
- Fentiazac
- IUPAC
- 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid
- English name
- FENTIAZAC
- Molecular formula
- C17H12ClNO2S
- Molecular weight
- 329.8
Names & synonyms
FENTIAZAC18046-21-4FentiazacoFentiazacum4-(p-Chlorophenyl)-2-phenyl-5-thiazoleacetic acid2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acidDTXSID80230500YHF6E6NLS4-(4-Chlorophenyl)-2-phenyl-5-thiazoleacetic acid5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-phenyl-NSC-282191WY-21,894
Show more names
ch800br700flogenedonorestnorvedanDonorest|||Flogene|||BR-7004-(4-chlorophenyl)-2-phenyl-5-thiazoleaceticaci4-(p-chlorophenyl)-2-phenyl-5-thiazoleaceticaci4-(p-chlorophenyl)-2-phenylthiazole-5-aceticacid
WY-21894DTXCID8030502-(4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl)acetic acidRefChem:5989272-phenyl-4-(p-chlorophenyl)thiazol-5-ylacetic acidM01AB10M02AA14241-958-1
Database identifiers
- CAS
18046-21-4
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP2.72
Physicochemical properties
- Melting point
- 162 °C · 162°C
- Boiling point
- 556.2 · 556.2±60.0 °C(Predicted)
- Density
- 1.1592 · 1.1592 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
- pka
- 3.89 · 3.89±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- Water Solubility
- 31.66 mg/L · 31.66mg/L(25 ºC)
- FDA UNII
- 0 YHF6E6NLS · 0YHF6E6NLS
- ATC code
- 1 AB10,M02AA14 · M01AB10,M02AA14
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
- Toxicity
- LD50 in rats, mice (mg/kg): 661, 692 orally (Marmo)
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
ATC Code
M - Musculo-skeletal system
M - Musculo-skeletal system
QM - Musculo-skeletal 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
UsesAnti-inflammatory.
General DescriptionFentiazac is reported to have anti-inflammatory, analgesic, and antipyretic activity. It has been given once or twice a day at levels between 100 and 200 mg/dose in the treatment of postoperative pain, including that following orthopedic surgery. The most common adverse effect is gastrointestinal intolerance, including epigastric pain, nausea, and vomiting. Effects on the CNS, such as headache and dizziness, also have been reported.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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