Basic information
- Standard SMILES
NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc21- InChIKey
IZSFDUMVCVVWKW-UHFFFAOYSA-N- Molecular formula
- C14H9ClN2O3S
- Average molar mass
- 320.8 g/mol
- Monoisotopic mass
- 320.00224083
Overview
Tenidap is a member of indoles, a member of thiophenes, an organochlorine compound and a member of ureas. It has a role as a non-steroidal anti-inflammatory drug and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor.
Names & identifiers
- Preferred name
- Tenidap
- IUPAC
- 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide
- English name
- Tenidap
- Molecular formula
- C14H9ClN2O3S
- Molecular weight
- 320.75
Names & synonyms
Show more names
Database identifiers
- CAS
120210-48-2- PubChem CID
- 60712
- DTXSID
DTXSID9046104- ChEMBL
CHEMBL1097558- ChEBI
CHEBI:35847- UNII
- 9K7CJ74ONH
- Nikkaji
- J3.110.323A、J328.807B、J594.228D、J717.958H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Melting point
- 230 ° · 230° (dec)
- Boiling point
- 538.1 · 538.1±60.0 °C(Predicted)
- Density
- 1.648 · 1.648±0.06 g/cm3(Predicted)
- storage temp.
- 4 °C · Store at +4°C
- solubility
- 1 mg/mL, · DMSO: soluble1mg/mL, clear (warmed)
- form
- powder
- pka
- 4.5 · 4.50±1.00(Predicted)
- color
- faint yellow to dark yellow
- InChI
- 1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)
- InChIKey
- IZSFDUMVCVVWKW-UHFFFAOYSA-N
- SMILES
- [s]1c(ccc1)C(=O)c2c3c([n](c2O)C(=O)N)ccc(c3)Cl
- FDA UNII
- 9 K7CJ74ONH · 9K7CJ74ONH
- ATC code
- 1 AX23 · M01AX23
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesAnti-inflammatory (osteoarthritis and rheumatoid arthritis).
UsesTenidap is one of the nonsteroidal antiinflammatory drugs (NSAIDs). Tenidap is an NSAID that preferentially inhibits COX-1. Tenidap inhibits formation of pro-inflammatory arachidonic acid metabolites in isolated human peripheral polymorphonuclear leukocytes.
Upstream & downstream products
Upstream raw materials
Suppliers34 total
Additional notes
DefinitionChEBI: Tenidap is a member of indoles, a member of ureas, a member of thiophenes and an organochlorine compound. It has a role as a non-steroidal anti-inflammatory drug and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor.
Related reactions
No reaction records under the current filter.
Linked notes
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