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메틸프레드니솔론헤미숙시네이트

Methylprednisolone Succinate

HCID 16923
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2921-57-5
표준 SMILES
C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COC(=O)CCC(=O)O)[C@@]2(C)C=CC(=O)C=C12
InChIKey
IMBXEJJVJRTNOW-XYMSELFBSA-N
분자식
C26H34O8
평균 분자량
474.5 g/mol
단동위원소 질량
474.22536804

개요

Methylprednisolone succinate is a hemisuccinate and a corticosteroid hormone.

이름 및 식별자

우선 이름
Methylprednisolone Succinate
IUPAC
4-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
현지명
메틸프레드니솔론헤미숙시네이트
영어명
Methylprednisolone hemisuccinate
분자식
C26H34O8
분자량
474.54

이름 및 동의어

2921-57-5METHYLPREDNISOLONE HEMISUCCINATEMethylprednisolone succinateUrbasonSoluble5GMR90S4KNMethylprednisolone Hemisuccinate [USP]Succinate, MethylprednisoloneHemisuccinate, MethylprednisoloneSodium Succinate, MethylprednisoloneMethylprednisolone hemisuccinate (USP)Sodium Hemisuccinate, MethylprednisoloneMethylprednisolone Hemisuccinate Monosodium Salt
이름 더 보기
메틸프레드니솔론헤미숙시네이트Methylprednisolone 21-Hemisuccinate6α-Methylprednisolone 21-HeMisuccinateMethylprednisolone hydrogen succinate CRSdrogensuccinate)(6-alpha,11-beta)-ylMethylprednisolone, PowdermethylprednisolonesuccinateMethylprednisolone sucsinateMethylprednisolone Impurity 15METHYLPRENISOLONE HEMISUCCINATE
6 alpha-Methylprednisolone Sodium Hemisuccinate4-{2-[(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-dihydroxy-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}-4-oxobutanoic acid4-(2-((1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-dihydroxy-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-1-yl)-2-oxoethoxy)-4-oxobutanoic acidRefChem:389122220-863-9Methylprednisolone hydrogen succinateMethylprednisolone hydrogen hemisuccinate4-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid

물성

구조 계산 물성

XLogP
2.2
극성 표면적
138 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
34
형식 전하
0
복잡도
981

물리화학적 성질

녹는점
230 °C · >230°C (dec.)
끓는 점
689.6 · 689.6±55.0 °C(Predicted)
밀도
1.33 · 1.33±0.1 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
물에는 거의 녹지 않으며, 아세톤과 무수 에탄올에는 약간 녹습니다. 알칼리 수산화물의 묽은 용액에 용해됩니다.
산도 계수 (pKa)
4.29 · 4.29±0.17(Predicted)
물리적 상태
Solid
색상
흰색에서 황백색까지
InChIKey
IMBXEJJVJRTNOW-HNOXHBQWNA-N
SMILES
C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@](O)(C(=O)COC(=O)CCC(O)=O)CC3)C[C@@H]2C |&1:4,8,10,12,14,16,19,35,r|
LogP
2.69 · 2.69

화학적 성질

White or almost white, hygroscopic powder.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H302 (30.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P270, P280, P301+P317, P302+P352, P317, P318, P319, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationREACH registered substance: 11β,17,21-trihydroxy-6α-methylpregna-1,4-diene-3,20-dione 21-(hydrogen succinate) (EC: 220-863-9)
Hazard Classes and CategoriesAcute Tox. 4 (30.4%)

안전 데이터

HS 번호
2937290000
기존화학 물질
KE-24859

화학 및 산업

약리 정보

Pharmacodynamics · 1건

Methylprednisolone sodium succinate (the sodium salt of methylprednisolone hemisuccinate) has the same metabolic and anti-inflammatory actions as methylprednisolone. When given parenterally and in equimolar quantities, the two compounds are equivalent in biologic activity.

MeSH Pharmacological Classification · 4건

Substances that reduce or suppress INFLAMMATION.

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.

Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.

Antineoplastic agents that are used to treat hormone-sensitive tumors. Hormone-sensitive tumors may be hormone-dependent, hormone-responsive, or both. A hormone-dependent tumor regresses on removal of the hormonal stimulus, by surgery or pharmacological block. Hormone-responsive tumors may regress when pharmacologic amounts of hormones are administered regardless of whether previous signs of hormone sensitivity were observed. The major hormone-responsive cancers include carcinomas of the breast, prostate, and endometrium; lymphomas; and certain leukemias. (From AMA Drug Evaluations Annual 1994, p2079)

응용 분야

용도Glucocorticoid.

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
武汉英诺医药科技有限公司

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데이터베이스 식별자

CAS
2921-57-5
PubChem CID
16923
DTXSID
DTXSID80183466
ChEMBL
CHEMBL1201265
ChEBI
CHEBI:135765
UNII
5GMR90S4KN
EC Number
220-863-9
Nikkaji
J7.938C
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