기본 정보
- CAS
338-95-4- 표준 SMILES
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F- InChIKey
WAIJIHDWAKJCBX-BULBTXNYSA-N- 분자식
- C21H27FO5
- 평균 분자량
- 378.4 g/mol
- 단동위원소 질량
- 378.18425212
개요
9-Fluoroprednisolone is a 21-hydroxy steroid.
이름 및 식별자
- 우선 이름
- Isoflupredone
- IUPAC
- (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
- 현지명
- 이소플루프레돈
- 영어명
- Isoflupredone
- 분자식
- C21H27FO5
- 분자량
- 378.43
이름 및 동의어
ISOFLUPREDONE338-95-49-Fluoroprednisolonedelta-FluorocortisoneIsoflupredonaIsoflupredonumHYS0B45Z2SDTXSID101009333Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11beta)-9 alpha-fluoroprednisoloneRefChem:56803DTXCID401436163
이름 더 보기
이소플루프레돈9α-FluoroprednisoloneNSC 12174Eflornison9α-Fluoro-1-cortisol9a-fluoroprednisoloneIsoflupredone USP/EP/BPIsoflupredone in Methanol
pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11 beta)-(1R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-7-one206-422-3(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one(11beta)-9-fluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one(8S,9R,10S,13S,14S,17R)-9-Fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-oneDeltafludrocortisone
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 94.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 775
실험 및 물리화학적 성질
LogP1.51
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 260 · 260-262°C (dec.)
- 끓는 점
- 566.7 · 566.7±50.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- DMSO (약간 용해됨), 에탄올(약간 용해됨,가열, 초음파 처리), 에틸아세테이트 (약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.1 · 12.10±0.70(Predicted)
- 색상
- 흰색에서 옅은 갈색까지
- InChIKey
- WAIJIHDWAKJCBX-MPVZUUJONA-N
- SMILES
- [C@@]12([H])CCC3=CC(=O)C=C[C@]3(C)[C@@]1(F)[C@@H](O)C[C@]1(C)[C@@](CC[C@@]21[H])(O)C(=O)CO |&1:0,10,12,14,17,19,22,r|
화학적 성질
White Solid
화학 및 산업
응용 분야
개요Isoflupredone, also known as deltafludrocortisone and 9α-fluoroprednisolone, is a synthetic glucocorticoid corticosteroid which was never marketed. Its acetate ester is isoflupredone acetate whch is widely used in veterinary medicine[1].
용도Isoflupredone is an anti-inflammatory. Isoflupredone could be used as an internal standard in the determination of 12 glucocorticoids in bovine milk through liquid chromatography with tandem mass spectrometry[1]. It could be used to treat endometritis by increasing pregnancy rates[2]. Isoflupredone acetate is one of four Food and Drug Administration approved corticosteroids for intra-articular use in horses[3].
상·하류 제품 정보
상류 원료
하류 제품
공급사57 곳
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
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