Basic information
- CAS
65474-39-7- Standard SMILES
COc1ccc2c(c1)c(CC(=O)Oc1ccccc1C(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
ZMVHVVYABPAONG-UHFFFAOYSA-N- Molecular formula
- C26H20ClNO6
- Average molar mass
- 477.9 g/mol
- Monoisotopic mass
- 477.0979151
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Carboxyphenyl-1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetate
- IUPAC
- 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxybenzoic acid
- English name
- 2-carboxyphenyl-1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetate
- Molecular formula
- C26H20ClNO6
- Molecular weight
- 477.89
Names & synonyms
TB-2192-Carboxyphenyl-1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetateRefChem:258154Indomethacin salicylate65474-39-7TB 219BRN 0464919(2-Carboxyphenyl) 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetate2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxybenzoic acid1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid ester with salicylic acid1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-carboxyphenyl esterorb1740554
Show more names
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 2-carboxyphenyl ester
SCHEMBL31097203DTXSID60215794Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, ester with salicylic acidT689262-({[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}oxy)benzoic acid
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 754
Physicochemical properties
- Boiling point
- 637.6 · 637.6±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 2.98 · 2.98±0.36(Predicted)
Chemistry & industry
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…