기본 정보
- CAS
104425-42-5- 표준 SMILES
COc1ccc2c(c1)c(CC(=O)ON1C(=O)CCC1=O)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
UBRFPULIXPNAAL-UHFFFAOYSA-N- 분자식
- C23H19ClN2O6
- 평균 분자량
- 454.9 g/mol
- 단동위원소 질량
- 454.093164
개요
inactivates prostaglandin endoperoxide synthase; structure given in first source
이름 및 식별자
- 우선 이름
- indomethacin-NHS
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
- 영어명
- N-succinimidyl-1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
- 분자량
- 0
이름 및 동의어
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
이름 더 보기
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-
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 94.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 752
화학 및 산업
약리 정보
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.
공급사1 곳
CHEMICAL LAND21[email protected]
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