기본 정보
- CAS
79512-61-1- 표준 SMILES
CCC(=O)O[C@]1(C(=O)CO)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
AARQXBTVVJUICB-LZHIOSKDSA-N- 분자식
- C25H34O6
- 평균 분자량
- 430.5 g/mol
- 단동위원소 질량
- 430.2355388
이름 및 식별자
- 우선 이름
- Methylprednisolone 17-Propionate
- IUPAC
- [(6S,8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate
- 영어명
- Methylprednisolone 17-Propionate
- 분자식
- C25H34O6
- 분자량
- 430.53
이름 및 동의어
79512-61-1[(6S,8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoatePEntafluoro[3-nitro-4-[(phenylsulfonyl)methyl]phenyl]sulfur(6S,8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionateMethylprednisolone 17-PropionateAARQXBTVVJUICB-LZHIOSKDSA-N58K47S7XSWSCHEMBL105274236alpha-Methylprednisolone 17-propionate(6alpha,11beta)-11,21-Dihydroxy-6-methyl-17-(1-oxopropoxy)-regna-1,4-diene-3,20-dione(6alpha,11beta)-11,21-Dihydroxy-6-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione11beta,21-dihydroxy-6alpha-methyl-17-propionyloxy-1,4-pregnadiene-3,20-dione
이름 더 보기
6a-Methyl Prednisolone 17-PropionateMethylprednisolone Impurity 236α-Methyl Prednisolone 17-Propionate6α-Methyl Prednisolone 17-Propionate, CAS 79512-61-1Methylprednisolone Impurity 2(Methylprednisolone 17-Propionate)11β,21-dihydroxy-6α-methyl-17α-propionyloxy-1,4-pregnadiene-3,20-dione(6α,11β)-11,21-Dihydroxy-6-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dionePregna-1,4-diene-3,20-dione, 11,21-dihydroxy-6-methyl-17-(1-oxopropoxy)-, (6α,11β)-[(6S,9S,10R,11S,13S,17R)-2,4,6,9,12,12-Hexadeuterio-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,11,14,15,16-hexahydrocyclopenta[a]phenanthren-17-yl] propanoate
Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-6-methyl-17-(1-oxopropoxy)-, (6alpha,11beta)-
데이터베이스 식별자
- CAS
79512-61-1- PubChem CID
- 10025718
- UNII
- 58K47S7XSW
- Nikkaji
- J1.913.300A
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 873
물리화학적 성질
- 녹는점
- 218 °C · >218°C (dec.)
- 끓는 점
- 582.312 · 582.312±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.246 · 1.246±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- Refrigerator
- 용해도
- Dioxane (Slightly), DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.976 · 12.976±0.10(predicted)
- 색상
- 흰색에서 황백색까지
화학 및 산업
응용 분야
용도6α-Methyl Prednisolone 17-Propionate is an impurity of 6α-Methyl Prednisolone (M325934), a glucocorticoid which displays anti-inflamatory and antioxidant properties and attenuates apoptosis in oligodendrocytes after injury. 6α-Methyl Prednisolone is neuroprotective.
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