기본 정보
- CAS
86401-94-7- 표준 SMILES
CC(=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
PPTFKULIEDYVJD-LFYFAGGJSA-N- 분자식
- C24H32O6
- 평균 분자량
- 416.5 g/mol
- 단동위원소 질량
- 416.21988874
이름 및 식별자
- 우선 이름
- 17-O-Acetyl-6-methylprednisolone
- 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] acetate
- 영어명
- 17-O-Acetyl-6-methylprednisolone
- 분자식
- C24H32O6
- 분자량
- 416.51
이름 및 동의어
17-O-Acetyl-6-methylprednisolone86401-94-7(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 Acetate17-O-(Acetyl-d3)-6-methylprednisoloneSCHEMBL1371249PPTFKULIEDYVJD-LFYFAGGJSA-NDTXSID701142533LDA40194[(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] acetate11,21-Dihydroxy-6alpha-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate17-acetoxy-11beta,21-dihydroxy-6alpha-methyl-1,4-pregnadiene-3,20-dione(6I+/-,11I(2))-17-(Acetyloxy)-11,21-dihydroxy-6-methylpregna-1,4-diene-3,20-dione
이름 더 보기
Methylprednisolone Impurity 80Benodanil Impurity 16 (Carboxine)Methylprednisolone Impurity 3(17-O-Acetyl-6-methylprednisolone)Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-11,21-dihydroxy-6-methyl-, (6α,11β)-
11beta,21-dihydroxy-17alpha-acetoxy-6alpha-methyl-1,4-pregnadiene-3,20-dione17alpha-acetoxy-11beta,21-dihydroxy-6alpha-methyl-1,4-pregnadiene-3,20-dione
물성
구조 계산 물성
- XLogP
- 2.8
- 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
물리화학적 성질
- 녹는점
- 225 · 225-229°C
- 끓는 점
- 572.8 · 572.8±50.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- 클로로포름(약간 용해됨), 디옥산(약간 용해됨), DMSO(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.98 · 12.98±0.10(Predicted)
- 색상
- 흰색에서 황백색까지
화학 및 산업
공급사10 곳
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
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廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
湖北威德利化学试剂有限公司15871722230 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
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