기본 정보
- CAS
53-36-1- 표준 SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C- InChIKey
PLBHSZGDDKCEHR-LFYFAGGJSA-N- 분자식
- C24H32O6
- 평균 분자량
- 416.5 g/mol
- 단동위원소 질량
- 416.21988874
개요
Methylprednisolone acetate is an acetate ester resulting from the formal condensation of the 21-hydroxy function of 6alpha-methylprednisolone compound with acetic acid. It has a role as an anti-inflammatory drug. It is a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, an acetate ester, a steroid ester and a 3-oxo-Delta(1),Delta(4)-steroid. It is functionally related to a 6alpha-methylprednisolone.
이름 및 식별자
- 우선 이름
- Methylprednisolone Acetate
- IUPAC
- [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-oxoethyl] acetate
- 영어명
- Methylprednisolone acetate
- 분자식
- C24H32O6
- 분자량
- 416.51
이름 및 동의어
Methylprednisolone acetate53-36-1Depo-medrolDepo-MedrateM-PredrolMedrol acetateDepo-MedroneMethylprednisolone 21-acetate6alpha-Methylprednisolone acetateD-Med6alpha-Methylprednisolone 21-acetateDepo-Methylprednisolone acetate
이름 더 보기
Methylprednisolone EP Impurity Ju8210MepredNSC 48985Vetacortyl11-beta)-hLumi-6αdepot-medrol
DTXSID7023302Methyl prednisolone acetate11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetateNSC-4898543502P7F0PCHEBI:6889DTXCID703302NSC48985
데이터베이스 식별자
- CAS
53-36-1- PubChem CID
- 5877
- DTXSID
DTXSID7023302- ChEMBL
CHEMBL1364144- ChEBI
CHEBI:6889
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 858
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal DrugsActive Ingredients (Methylprednisolone Acetate) -> FDA Greenbook
물리화학적 성질
- 녹는점
- 192 · 192-195°C
- 끓는 점
- 454.82 °C · 454.82°C (rough estimate)
- 밀도
- 1.1156 · 1.1156 (rough estimate)
- 굴절률
- 1.4593 · 1.4593 (estimate)
- 저장 조건
- Refrigerator
- 용해도
- 물에는 거의 녹지 않으며, 아세톤과 에탄올에는 거의 녹지 않습니다(96%).
- 산도 계수 (pKa)
- 12.41 · 12.41±0.70(Predicted)
- 물리적 상태
- Solid
- 색상
- 흰색에서 황백색까지
- InChIKey
- PLBHSZGDDKCEHR-OJNHZLOINA-N
- SMILES
- [C@@]12([H])C[C@@H](C3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@H](C[C@]1(C)[C@@](CC[C@@]21[H])(O)C(=O)COC(=O)C)O)C |&1:0,3,10,12,14,16,18,21,r|
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H360 (39.2%): 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 79 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Status: Active Update: 14-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21151
Methylprednisolone acetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-6-methyl-, (6.alpha.,11.beta.)-: Human health tier I assessment
Hazard Classes and CategoriesRepr. 1B (39.2%)
안전 데이터
- wgk
- WGK 3
- 독성
- LD50 oral in rat: > 10gm/kg
- HS 번호
- 32041200
- risk_code
- 63-62
- hazard_code
- Xn
- safety_code
- 36/37-24/25
- Hazard Classifications
- Repr. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
FDA Pharmacological Classification
METHYLPREDNISOLONE ACETATE
Corticosteroid [EPC]; Corticosteroid Hormone Receptor Agonists [MoA]
MeSH Pharmacological ClassificationSubstances that reduce or suppress INFLAMMATION.
용도 및 제조
UsesExcretion rate: 1
Use ClassificationAnimal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
응용 분야
용도Methylprednisolone acetate is used as a glucocorticoid.
공급사100 곳
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广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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