기본 정보
- CAS
193603-94-0- 표준 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- 분자식
- C29H34ClNO4
- 평균 분자량
- 496 g/mol
이름 및 식별자
- 우선 이름
- 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
- 영어명
- 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
- 분자식
- C29H34ClNO4
- 분자량
- 496.04
이름 및 동의어
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
이름 더 보기
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
데이터베이스 식별자
- CAS
193603-94-0- ChEMBL
CHEMBL2236583- Nikkaji
- J836.383H
물성
구조 계산 물성
- XLogP
- 8.1
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 736
물리화학적 성질
- 끓는 점
- 565 · 565.0±50.0 °C(Predicted)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
화학 및 산업
응용 분야
용도Indomethacin terpenoids'' esters were synthesized and assessed both in vitro and in vivo as indomethacin dermal prodrugs.
공급사20 곳
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]
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