CAS 17652-24-3 Prednisolone 17,21-diacetate (HCID 14233395)

기본 정보

CAS: 17652-24-3
표준 SMILES: CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChIKey: VWLTWMGSJXSKQJ-WEXULQILSA-N
분자식: C25H32O7
평균 분자량: 444.5 g/mol
단동위원소 질량: 444.21480336

이름 및 식별자

우선 이름: Prednisolone 17,21-diacetate
IUPAC: [2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
영어명: VWLTWMGSJXSKQJ-ROXMPKABSA-N
분자식: C25H32O7
분자량: 444.51738

이름 및 동의어

Prednisolone 17,21-diacetatePregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-11-hydroxy-, (11beta)-DTXSID30170149RefChem:373783DTXCID709264017652-24-3Budesonide Impurity 88[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetateorb3214686SCHEMBL2299113VWLTWMGSJXSKQJ-WEXULQILSA-NC25H32O7

이름 더 보기

VWLTWMGSJXSKQJ-ROXMPKABSA-NPrednisolone Acetate Impurity 2Budesonide 17,21-Diacetyloxy ImpurityPregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-11-hydroxy-, (11β)-

AKOS030255018H95794F57212311beta-hydroxy-17,21-diacetoxy-3,20-dioxo-1, 4-pregnadiene17alpha,21-diacetoxy-11beta-hydroxy-1,4- pregnadiene-3,20-dione17alpha,21-diacetoxy-11beta-hydroxy-1,4-pregnadiene-3,20-dione11-Hydroxy-3,20-dioxo-11beta-pregna-1,4-diene-17,21-diyl diacetate[2-[(8S,9S,10R,11S,13S,14S,17R)-17-acetoxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate

물성

구조 계산 물성

XLogP: 3
극성 표면적: 107 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 6
무거운 원자 수: 32
형식 전하: 0
복잡도: 933

물리화학적 성질

끓는 점: 582 · 582.0±50.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
용해도: soluble in DCM, Ethyl Acetate
산도 계수 (pKa): 14.12 · 14.12±0.70(Predicted)
물리적 상태: 고체
색상: 하얀색

화학 및 산업

응용 분야

용도Prednisolone 17,21-Diacetate is an intermediate in the synthesis of Budesonide (B689490) related derivatives.

상·하류 제품 정보

하류 제품

11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate

공급사21 곳

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

清宁生物（江苏博泉生物科技有限公司）19352250998 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

화합물 노트

불러오는 중…

Prednisolone 17,21-diacetate