메틸프레드니솔론아세포네이트

Methylprednisolone Aceponate

HCID 63019CAS 86401-95-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC(=O)O[C@]1(C(=O)COC(C)=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: DALKLAYLIPSCQL-YPYQNWSCSA-N
분자식: C27H36O7
평균 분자량: 472.6 g/mol
단동위원소 질량: 472.24610349

개요

Methylprednisolone aceponate is a corticosteroid hormone.

이름 및 식별자

우선 이름: Methylprednisolone Aceponate
IUPAC: [(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate
현지명: 메틸프레드니솔론아세포네이트
영어명: Methylprednisolone aceponate
분자식: C27H36O7
분자량: 472.57

이름 및 동의어

Methylprednisolone aceponate86401-95-8AdvantanAceponato de metilprednisolonaAceponate de methylprednisoloneMethylprednisoloni aceponasAdventanET54W9J4U2DTXSID202330111beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione, 21-acetate 17-propionate6alpha-methylprednisolone aceponate(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1-[2-(acetyloxy)acetyl]-10-hydroxy-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate

이름 더 보기

메틸프레드니솔론아세포네이트ZK-91588ZK-91-588AceponateZK-91588：SH-440Prednisolone Impurity 21Methilprednisolone aceponateMethylprednisolone Impurity 55

(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1-(2-(acetyloxy)acetyl)-10-hydroxy-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-1-yl propanoateRefChem:158295DTXCID303301SH-440Methylprednisolone aceponate [INN]C27H36O76?-Methyl Prednisolone Aceponate[(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate

데이터베이스 식별자

CAS: 86401-95-8
PubChem CID: 63019
DTXSID: DTXSID2023301
ChEMBL: CHEMBL1697782
ChEBI: CHEBI:135762
UNII: ET54W9J4U2
EC Number: 658-084-5、687-724-6
Nikkaji: J25.810E

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 107 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 7
무거운 원자 수: 34
형식 전하: 0
복잡도: 979

물리화학적 성질

녹는점: 105 · 105 - 108°C
끓는 점: 595.8 · 595.8±50.0 °C(Predicted)
밀도: 1.23 · 1.23±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 디옥산(약간 용해됨), DMSO(약간 용해됨), 아세트산에틸(약간 용해됨)
산도 계수 (pKa): 14.05 · 14.05±0.70(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChIKey: DALKLAYLIPSCQL-TXWHWSFMNA-N
SMILES: O(C(CC)=O)[C@]1(C(COC(C)=O)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(C=C[C@]4(C)[C@H]3[C@H](C[C@]12C)O)=O |&1:5,15,16,18,25,27,28,30,r|

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H360 (96.4%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P260, P264, P270, P280, P318, P319, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 28 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

유해성 정보

Hazard Classes and Categories · 2건

Repr. 1A (96.4%)

Repr. 2 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H361

화학 및 산업

약리 정보

ATC Code · 3건

H02AB04

D - Dermatologicals

QD - Dermatologicals

MeSH Pharmacological ClassificationSubstances that reduce or suppress INFLAMMATION.

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >25

응용 분야 · 2건

개요Methylprednisolone aceponate (MPA) is a new potent topical corticosteroid. Chemically, it is a corticosteroid diester that penetrates the skin rapidly. It is rapidly metabolised and then conjugated, so although potent, it does not appear to cause serious local or systemic side effects. Clinical trials have shown that once daily use is sufficient to control most eczematous conditions and is also appropriate and effective in atopic dermatitis. MPA is effective in the treatment of facial and scalp eczema and sunburn and has shown promising results in the treatment of psoriasis. MPA is also suitable for use in children and infants. MPA is available in a wide range of formulations (0.1%) including creams, ointments, fat ointments, lotions and solutions depending on the patient's individual condition.

용도Methylprednisolone aceponate used in treatment of seborrhoeic dermatitis includes topical treatments such as corticosteroids, antifungals, metronidazole and pimecrolimus.

상·하류 제품 정보

상류 원료

하류 제품

Methylprednisolone 17-Propionate

공급사50 곳

上海策嵘生物科技有限公司[email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

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

艾吉析科技（上海）有限公司17717235263 · [email protected]

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]

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