기본 정보
- CAS
2920-86-7- 표준 SMILES
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O- InChIKey
APGDTXUMTIZLCJ-CGVGKPPMSA-N- 분자식
- C25H32O8
- 평균 분자량
- 460.5 g/mol
- 단동위원소 질량
- 460.20971797
개요
Prednisolone succinate is a hemisuccinate resulting from the formal condensation of the 21-hydroxy group prednisolone with one of the carboxy groups of succinic acid. It is used to treat mild to moderate non-infectious eye allergies and inflammation, including damage caused by chemical and thermal burns. It has a role as an anti-inflammatory drug. It is a hemisuccinate, a tertiary alpha-hydroxy ketone, a 17alpha-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It is functionally related to a succinic acid and a prednisolone. It is a conjugate acid of a prednisolone succinate(1-).
이름 및 식별자
- 우선 이름
- Prednisolone 21-hemisuccinate
- IUPAC
- 4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
- 영어명
- Prednisolone succinate
- 분자식
- C25H32O8
- 분자량
- 460.52
이름 및 동의어
PREDNISOLONE HEMISUCCINATE2920-86-7Prednisolone 21-hemisuccinateprednisolone succinatePrednisolutPrednisolone bisuccinatePrednisolone 21-succinatePrednisolone hydrogen succinateDTXSID1048964(+)-prednisolone hemisuccinateG7080T74ONNSC-759137
이름 더 보기
D02156prednisolonbisuccinatPrednisolone Impurity 4prednisolonebisuccinateprednisolone21-succinatePrednisolone Succinate RS
DTXCID8028890Prednisolone hemisuccinate (USP)Prednisolone hemisuccinate [USP]CHEBI:13574511beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-(hydrogen succinate)RefChem:868417(11 beta)-21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxypregna-1,4-diene-3,20-dione220-861-8
데이터베이스 식별자
- CAS
2920-86-7- PubChem CID
- 656804
- DTXSID
DTXSID1048964- ChEMBL
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 950
실험 및 물리화학적 성질
Collision Cross Section210.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 206 °C · 206°C
- 끓는 점
- 485.35 °C · 485.35°C (rough estimate)
- 밀도
- 1.1796 · 1.1796 (rough estimate)
- 굴절률
- 1.448 · 1.4480 (estimate)
- 저장 조건
- Refrigerator
- 용해도
- DMSO(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 4.29 · 4.29±0.17(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 3.4% (1 of 29) of reports.
Danger
H360 (86.2%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 29 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesRepr. 1A (86.2%)
안전 데이터
- wgk
- 3
- rtecs
- TU4153400
- HS 번호
- 2937290000
- risk_code
- 61-40
- safety_code
- 53-22-36/37/39-45
화학 및 산업
약리 정보
MeSH Pharmacological Classification
A group of CORTICOSTEROIDS that affect carbohydrate metabolism (GLUCONEOGENESIS, liver glycogen deposition, elevation of BLOOD SUGAR), inhibit ADRENOCORTICOTROPIC HORMONE secretion, and possess pronounced anti-inflammatory activity. They also play a role in fat and protein metabolism, maintenance of arterial blood pressure, alteration of the connective tissue response to injury, reduction in the number of circulating lymphocytes, and functioning of the central nervous system.
응용 분야
용도neuroleptic
공급사76 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
陕西科贝莱药物研发有限公司13119135307 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
清宁生物（江苏博泉生物科技有限公司）19352250998 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Aladdin Scientific[email protected]
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