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皮甾酮 | 152-58-9

皮甾酮
Cortodoxone
152-58-9
C21H30O4
346.4605
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:皮甾酮结构式
皮甾酮MSDS
87566476
皮甾酮价格
简介
皮甾酮又名可托多松,英文名称:Cortexolone,分子式:C21H30O4,分子量:346.4605,一种激素,提取自肾上腺或若干种热带植物中,用于关节病。
名称和标识符
MDL MFCD00003662
InChIKey WHBHBVVOGNECLV-OBQKJFGGSA-N
Inchi 1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
SMILES O([H])[C@]1(C(C([H])([H])O[H])=O)C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]21C([H])([H])[H])=O
别名信息
- 中文别名 -
  • 皮甾酮
  • 可托多松
  • 脱氧可的松
  • 11去氧皮质醇
  • 11-脱氧皮质醇-d5
  • Cortexolone 脱氧可的松
  • 萘肽磷
  • 氢化可的松杂质F(EP) 标准品
  • 脱氧可的松,CORTEXOLONE
  • 脱氧皮醇、脱氧可的松、可托多松、皮甾酮、肾上腺素皮质甾酮
  • 17-羥-11-去氧皮甾酮
  • 肾上腺素皮质甾酮
  • 脱氧皮醇
  • 11-脱氧皮质醇
  • 11-脱氧皮甾醇
  • 氢化可松EP杂质F
  • 17-羥-11-去氧可體甾酮
  • 氢化可的松杂质F
- 英文别名 -
  • 17,21-Dihydroxy-pregn-4-ene-3,20-dione
  • 11-Deoxy-17-hydroxycorticosterone
  • 11-Deoxycortisol
  • 11-Desoxycortisone
  • 17,21-Dihydroxy-4-pregnene-3,20-dione
  • 17alpha,21-Dihydroxypregn-4-ene-3,20-dione
  • Cortodoxone
  • Reichstein's substance S
  • Cortexolone
  • 11-Deoxycortisol solution
  • 4-PREGNEN-17, 21-DIOL-3, 20-DIONE
  • 11-deoxy-17-hydroxy-corticosterone
  • 11-DESOXYCORTISOL
  • 11-dioxy-cortiso
  • 11-dioxycortisol
  • 17α,21-Dihydroxy-4-pregnene-3,20-dione
  • Reichstein S
  • skf3050
  • nsc-18317
  • Cortexolone,99%
  • 11-Deoxyhydrocortisone
  • 11-Desoxyhydrocortisone
  • 17alpha-Hydroxycortexone
  • 17,21-Dihydroxyprogesterone
  • Cortisol, 11-deoxy-
  • Substance S
  • Reichstei
  • cortexolone
  • Reichstein's Substance S
  • CORTEXOLONE
  • CORTODOXONE
  • 11-DEOXYCORTISOL
  • 17-Hydroxy-11-deoxycorticosterone
  • Corticosterone, 11-deoxy-17-hydroxy-
  • 11-Deoxycortisol (17,21-Dihydroxypregn-4-ene-3,20-dione)
  • NS00010323
  • Cortodoxone [USAN:INN:BAN]
  • Cortifen
  • 17
  • 17-hydroxydesoxycorticosterone
  • LMST02030086
  • Lopac0_001040
  • Cortodoxonum [INN-Latin]
  • NCGC00021222-06
  • Skf-3050
  • HMS3263O21
  • Tox21_110867_1
  • 11-Desoxycortisol
  • Cortodoxona [INN-Spanish]
  • SK&F-3050
  • 4-Pregnene-17.alpha.,21-diol-3,20-dione
  • Reichsteins Compound S
  • 152-58-9
  • (8R,10R,13S,17R)-17-Hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one
  • 11-Deoxycortisol
  • cortexolone
  • Reichstein's substance S
  • CS-5182
  • SMR000059123
  • Cortodoxone (USAN)
  • BRN 2511358
  • NCGC00021222-03
  • A936328
  • HYDROCORTISONE IMPURITY F [EP IMPURITY]
  • 17alpha,21-dihydroxy-pregna-4-ene-3,20-dione
  • CORTODOXONE [USAN]
  • 17,21-Dihydroxypregn-4-ene-3,20-dione (Reichstein's Substance S)
  • 11-Deoxy Cortisol
  • R 0500
  • (1S,2R,10R,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
  • HY-77839
  • 11-DESOXY-17-HYDROXYCORTICOSTERONE [MI]
  • Reichstein's compound S
  • Tox21_110867
  • 11-Deoxycortisol (17,21-Dihydroxypregn-4-ene-3,20-dione) 1.0 mg/ml in Methanol
  • GTPL5100
  • Cortodoxonum
  • s4775
  • WDT5SLP0HQ
  • UNII-WDT5SLP0HQ
  • 17alpha,21-Dihydroxy-4-pregnene-3,20-dione
  • (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
  • 4-Pregnene-17alpha,21-diol-3,20-dione
  • DTXSID8045642
  • BDBM50423539
  • EU-0101040
  • CCG-205117
  • Reichstein's substance S, >=98%
  • 17-(1-keto-2-hydroxyethyl)-4-androsten-17alpha, 21-ol-3-one
  • 4-08-00-02913 (Beilstein Handbook Reference)
  • A inverted exclamation mark,21-Dihydroxypregna-4-ene-3,20-dione
  • NCGC00261725-01
  • MLS000069440
  • EINECS 205-805-2
  • Substance S, Reichstein's
  • CMC_13429
  • MLS001333071
  • 20-dione 17,21-Dihydroxypregn-4-ene-3
  • 11-deoxycortisone
  • D03595
  • Q2064915
  • C72891
  • Pregn-4-ene-3,20-dione, 17,21-dihydroxy-
  • MFCD00003662
  • (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • MLS001333072
  • CHEMBL253144
  • LP01040
  • Tox21_501040
  • NCGC00021222-05
  • 17.alpha.,21-Dihydroxypregn-4-ene-3,20-dione
  • CHEBI:28324
  • NCGC00021222-07
  • 11-Deoxycortisol, 1mg/ml in Acetonitrile
  • SR-01000076100
  • SK&F 3050
  • SKF 3050
  • CAS-152-58-9
  • SCHEMBL42590
  • Hydrocortisone Imp. F (EP)
  • 17,21-Dihydroxypregn-4-ene-3,20-dione
  • Reichstein's Substance S
  • 11-Deoxycortisol
  • Cortexolone
  • Hydrocortisone Impurity F
  • C05488
  • HMS2234L16
  • Opera_ID_1433
  • NSC-18317
  • Cortodoxona
  • 17a,21-dihydroxyprogesterone
  • 17.ALPHA.,21-DIHYDROXYPROGESTERONE
  • .DELTA.4-PREGNENE-17.ALPHA.,21-DIOL-3,20-DIONE
  • 17.alpha.-Hydroxycortexone
  • 17-alpha-Hydroxycortexone
  • 11-Dioxycortisol
  • 33BB233B-CC8F-413B-8901-3A73030BBA68
  • DTXCID6025642
  • AKOS015969740
  • SDCCGSBI-0051010.P002
  • NCGC00021222-04
  • 11 Deoxycortisol
  • 11-Desoxy-17.alpha.-hydroxycorticosterone
  • 17,21-Dihydroxypregn-4-ene-3,20-dione
  • 11-Desoxy-17-hydroxycorticosterone
  • CORTODOXONE [INN]
  • AS-56275
  • 17.ALPHA.,21-DIHYDROXY-4-PREGNEN-3,20-DIONE
  • SR-01000076100-1
  • 4-PREGNEN-17.ALPHA.,21-DIOL-3,20-DIONE
  • AKOS024304316
  • 17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • 17Alpha,21dihydroxy progesterone
  • AB00698346-05
  • CHEBI:125417
  • MLS001076465
  • MLS001424203
  • 17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • CCG-101089
  • NC00339
  • SMR000466922
  • 17,20-dione
  • Hydrocortisone EP Impurity F
  • HMS3369P15
  • DTXSID00859297
  • SR-01000310463-1
  • SR-01000310463
  • HMS3394E07
  • SCHEMBL13352414
  • CHEMBL1705958
  • FT-0665779
  • HMS2232H23
  • 4-Pregnene-17.alpha.,20-dione
  • MLS001240241
  • HMS2052E07
  • Cortisol, 11-dioxy-
  • NSC18317
  • 37-60-5
  • FT-0665171
  • Oprea1_732056
  • Pregn-4-ene-3, 17,21-dihydroxy-
  • Reichsteins Substance S
  • Q27216034
  • PCB NO.101-2,2',4,5,5'-PENTACHLOROBIPHENYL
  • AKOS000621769
  • Hydrocortisone Imp. F (EP): 17,21-Dihydroxypregn-4-ene-3,20-dione (Reichstein's Substance S)
物化性质
实验特性
LogP 2.81080
PSA 74.60000
Merck 2932
折射率 120 ° (C=1, Dioxane)
沸点 524.5°C at 760 mmHg
熔点 205-208 °C
闪点 9℃
颜色与性状 板状有光泽的结晶。
溶解性 溶于丙酮、甲醇和乙醇,极微溶于水和乙醚。
密度 1.22±0.1 g/cm3 (20 ºC 760 Torr)
计算特性
精确分子量 346.21400
氢键供体数量 2
氢键受体数量 4
可旋转化学键数量 2
同位素质量 346.21440943g/mol
重原子数量 25
复杂度 652
同位素原子数量 0
确定原子立构中心数量 6
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.5
表面电荷 0
拓扑分子极性表面积 74.6
国际标准相关数据
EINECS 205-805-2
相关文献
专业数据库参考
PubChemId 87566476
参考资料
Reaxys RN 2511358
Beilstein 8(4)2913
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