Basic information
- CAS
17969-20-9- Standard SMILES
O=C(O)Cc1csc(-c2ccc(Cl)cc2)n1- InChIKey
APBSKHYXXKHJFK-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO2S
- Average molar mass
- 253.71 g/mol
- Monoisotopic mass
- 252.9964274
Overview
Fenclozic acid is a small molecule drug. Fenclozic acid has a monoisotopic molecular weight of 253.0 Da.
Names & identifiers
- Preferred name
- Fenclozic Acid
- IUPAC
- 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
- English name
- 2-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]acetic acid
- Molecular formula
- C11H8ClNO2S
- Molecular weight
- 253.7
Names & synonyms
Fenclozic acid17969-20-9Acidum fenclozicumAcido fenclozicoAcide fencloziqueICI-54450DTXSID404615758SRQ4DV53I.C.I. 54,450DTXCID2026157ICI-54,4502-(4-chlorophenyl)-4--thiazoleacetic acid
Show more names
8L-323Sici54,450FenclozicfenclozicacidacidofenclozicoacidumfenclozicumAcide p-chlorophenyl-22-(p-chlorophenyl)-4-thiazoleaceticaci2-(4-chlorophenyl)-4-thiazoleaceticaci
RefChem:1401202-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetic acid2-(2-(4-Chlorophenyl)thiazol-4-yl)acetic acidMialexMyalex4-Thiazoleacetic acid, 2-(4-chlorophenyl)-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]acetic acidMFCD00721754
Database identifiers
- CAS
17969-20-9- PubChem CID
- 28858
- DTXSID
DTXSID4046157- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Experimental & physicochemical properties
LogP3.29
Physicochemical properties
- Melting point
- 150 · 150-152°C
- Boiling point
- 145 °C · 145°C (rough estimate)
- Density
- 1.227 · 1.2270 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.83 · 3.83±0.10(Predicted)
- color
- Off-White to Pale Brown
- InChI
- 1S/C11H8ClNO2S/c12-8-3-1-7(2-4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
- InChIKey
- APBSKHYXXKHJFK-UHFFFAOYSA-N
- SMILES
- OC(=O)Cc1csc(n1)-c2ccc(Cl)cc2
- EWG's Food Scores
- 1 · 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Fenclozic acid
vMost-DILI-concern
8
Withdrawn
DOI:10.1016/j.drudis.2016.02.015
Safety data
- wgk
- WGK 3
- Toxicity
- LD50 in rats, mice (mg/kg): 850, 1000 orally; 250, 300 i.v. (Hepworth)
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
Chemistry & industry
Applications
UsesFenclozic Acid is a a potent antiinflammatory agent with analgesic and antipyretic properties and is a human hepatotoxic drug.
Upstream & downstream products
Upstream raw materials
Suppliers35 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
Related reactions
2 records
Compound notes
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