chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate
기본 정보
- CAS
82034-20-6- 표준 SMILES
CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C- InChIKey
MRTXSPBAHVGOKO-HROMYWEYSA-N- 분자식
- C24H33ClO7
- 평균 분자량
- 469 g/mol
이름 및 식별자
- 우선 이름
- chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate
- IUPAC
- chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate
- 영어명
- loteprednol Impurity 7
- 분자식
- C24H33ClO7
- 분자량
- 468.97
이름 및 동의어
82034-20-6Loteprednol Impurity 33SCHEMBL16857771,2-DihydroLoteprednolEtabonatechloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-((ethoxycarbonyl)oxy)-11-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylateChloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-((ethoxycarbonyl)oxy)-11-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate (Loteprednol impurity)loteprednol Impurity 7Loteprednol Impurity 35Loteprednol etabonate Impurity 5Loteprednol Etabonate Impurity 6Loteprednol Etabonate 1,2-Dihydro1,2-Dihydro Loteprednol Etabonate
이름 더 보기
Androst-4-ene-17-carboxylic acid, 17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-, chloromethyl ester, (11β,17α)-
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 99.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 840
물리화학적 성질
- 끓는 점
- 597.4 · 597.4±50.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.15 · 14.15±0.70(Predicted)
화학 및 산업
응용 분야
용도1,2-Dihydro Loteprednol Etabonate is derived from Cortienic Acid (Cortienic Acid), which is a synthetic steroid modeled based on hydrocortisone (H714615), a glucocorticoid produced by the zona fasciculata of the adrenal gland. Cortienic Acid is developed as a steroidal antiinflammatory agents.
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