Basic information
- CAS
193603-94-0- Standard SMILES
COc1ccc2c(c1)c(CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
RSBMDLAATWEXQU-NAWOXDROSA-N- Molecular formula
- C29H34ClNO4
- Average molar mass
- 496 g/mol
Names & identifiers
- Preferred name
- Indomethacin 1-Menthol ester
- IUPAC
- [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
- English name
- 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
- Molecular formula
- C29H34ClNO4
- Molecular weight
- 496.04
Names & synonyms
193603-94-0Indomethacin 1-Menthol ester(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate1-(4-Chlorobenzoyl)-2-methyl-5-methoxy-1H-indole-3-acetic acid (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl ester[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetateIndometacin Impurity 11Indometacin Impurity 11C29H34ClNO4CHEMBL2236583CS-0120872[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate
Show more names
Indometacin Impurity 28Indomethacin Impurity 19Indometacin 1-Menthol ester1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 736
Physicochemical properties
- Boiling point
- 565 · 565.0±50.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
Chemistry & industry
Applications
UsesIndomethacin terpenoids'' esters were synthesized and assessed both in vitro and in vivo as indomethacin dermal prodrugs.
Suppliers20 total
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
坛墨质检科技股份有限公司19850211281 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳菲斯生物科技有限公司0755-4000505016 13380397412 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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