indomethacin-NHS
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Basic information
- CAS
104425-42-5- Standard SMILES
COc1ccc2c(c1)c(CC(=O)ON1C(=O)CCC1=O)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
UBRFPULIXPNAAL-UHFFFAOYSA-N- Molecular formula
- C23H19ClN2O6
- Average molar mass
- 454.9 g/mol
- Monoisotopic mass
- 454.093164
Overview
inactivates prostaglandin endoperoxide synthase; structure given in first source
Names & identifiers
- Preferred name
- indomethacin-NHS
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
- English name
- N-succinimidyl-1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
- Molecular weight
- 0
Names & synonyms
Indomethacin-nhs104425-42-5Indomethacin N-hydroxysuccinimideDTXSID70146484N-Succinimidyl-1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetateRefChem:923424DTXCID2068975(2,5-dioxopyrrolidin-1-yl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate2,5-Dioxopyrrolidin-1-yl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetateSCHEMBL259006101-(4-Chlorobenzoyl)-3-(2-((2,5-dioxo-1-pyrrolidinyl)oxy)-2-oxoethyl)-5-methoxy-2-methyl-1H-indole2,5-Dioxopyrrolidin-1-yl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
Show more names
1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, 2,5-DIOXO-1-PYRROLIDINYL ESTER
1H-Indole, 1-(4-chlorobenzoyl)-3-(2-((2,5-dioxo-1-pyrrolidinyl)oxy)-2-oxoethyl)-5-methoxy-2-methyl-
Database identifiers
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 752
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes.
Related reactions
0 records
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Compound notes
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