Basic information
- CAS
67489-39-8- Standard SMILES
COc1ccc2c(c1)c(CC(=O)OC1OC(=O)c3ccccc31)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
XYRIRLDHOQSNLW-UHFFFAOYSA-N- Molecular formula
- C27H20ClNO6
- Average molar mass
- 489.9 g/mol
- Monoisotopic mass
- 489.0979151
Names & identifiers
- Preferred name
- Talmetacin
- IUPAC
- (3-oxo-1H-2-benzofuran-1-yl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
- English name
- Talmetacin
- Molecular formula
- C27H20ClNO6
- Molecular weight
- 489.9
Names & synonyms
Talmetacin67489-39-8TalmetacinaTalmetacineTalmetacinumBA 7605-066FY017I6S7BA-7605-06RefChem:1099384(3-oxo-1H-2-benzofuran-1-yl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetatePV-102BA 7605-06; Talmetacin
Show more names
Talmetacin, 10 mM in DMSO1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,3-dihydro-3-oxoisobenzofuran-1-yl ester1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester
Talmetacin [USAN:INN]Talmetacine [INN-French]Talmetacinum [INN-Latin]Talmetacina [INN-Spanish]UNII-6FY017I6S7BA 760506TALMETACIN [INN]Talmetacin (USAN/INN)
Database identifiers
- CAS
67489-39-8- PubChem CID
- 68564
- DTXSID
DTXSID20867278- ChEMBL
CHEMBL2105411- UNII
- 6FY017I6S7
- Nikkaji
- J126.248C
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 813
Physicochemical properties
- Boiling point
- 627.6 · 627.6±55.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- FDA UNII
- 6 FY017I6S7 · 6FY017I6S7
Chemistry & industry
Applications
UsesAnalgesic; anti-inflammatory; antipyretic.
UsesTalmetacin is an analgesic and an anti-inflammatory drug.
Suppliers7 total
銳迪國際科技有限公司18024082417 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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