20-Hydroxy methylprednisolone, (20R)-
기본 정보
- CAS
387-65-5- 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@H](O)CO)[C@@]2(C)C=CC(=O)C=C12- InChIKey
GXALFBTWPDTDIR-BRBLPNDGSA-N- 분자식
- C22H32O5
- 평균 분자량
- 376.5 g/mol
- 단동위원소 질량
- 376.22497412
이름 및 식별자
- 우선 이름
- 20-Hydroxy methylprednisolone, (20R)-
- IUPAC
- (6S,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-11,17-dihydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
- 영어명
- 20-Deoxo-20β-hydroxy-6α-Methyl Prednisolone
- 분자식
- C22H32O5
- 분자량
- 376.49
이름 및 동의어
387-65-520-Hydroxy methylprednisolone, (20R)-Prednisolone Impurity 14UNII-S86E58B4X9S86E58B4X920-Hydroxy methylprednisolone, (20alpha)-20-Deoxo-20b-hydroxy-6a-Methyl Prednisolone11beta,17alpha,20alpha,21-Tetrahydroxy-6alpha-methylpregna-1,4-diene-3-onePregna-1,4-dien-3-one, 11,17,20,21-tetrahydroxy-6-methyl-, (6alpha,11beta,20R)-(6S,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-11,17-dihydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one(6S,8S,9S,10R,11S,13S,14S,17R)-17-((R)-1,2-dihydroxyethyl)-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one20-Deoxo-20Beta-hydroxy-6Alpha-Methyl Prednisolone
이름 더 보기
Prednisone Impurity 2920-Deoxo-20-hydroxy-6α-Methyl Prednisolone20-Deoxo-20β-hydroxy-6α-Methyl PrednisolonePregna-1,4-dien-3-one, 11,17,20,21-tetrahydroxy-6-methyl-, (6α,11β,20R)-
11ss,17a,20a,21-Tetrahydroxy-6a-methylpregna-1,4-diene-3-one11ss,17a,20ss,21-Tetrahydroxy-6a-methyl-pregna-1,4-dien-3-one;(20R)-20-hydroxy methylprednisolone20-HYDROXY METHYLPREDNISOLONE, (20.ALPHA.)-Q27289040Prednisone Impurity 29 (20(R)-Hydroxy Methylprednisolone)11.BETA.,17.ALPHA.,20.ALPHA.,21-TETRAHYDROXY-6.ALPHA.-METHYLPREGNA-1,4-DIENE-3-ONEPREGNA-1,4-DIEN-3-ONE, 11,17,20,21-TETRAHYDROXY-6-METHYL-, (6.ALPHA.,11.BETA.,20R)-
데이터베이스 식별자
- CAS
387-65-5- PubChem CID
- 91667753
- UNII
- S86E58B4X9
- Nikkaji
- J639.108G
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 98 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 713
물리화학적 성질
- 녹는점
- 75 °C · >75°C (dec.)
- 끓는 점
- 591.5 · 591.5±50.0 °C(Predicted)
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 14.04 · 14.04±0.70(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
화학 및 산업
응용 분야
용도20-Deoxo-20β-hydroxy-6α-Methyl Prednisolone is an impurity of 6α-Methyl Prednisolone (M325930), 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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