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丁酸氢化可的松 | 13609-67-1

丁酸氢化可的松
hydrocortisone 17-butyrate
13609-67-1
C25H36O6
432.54974
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:丁酸氢化可的松结构式
253660488
丁酸氢化可的松价格
简介
Hydrocortisone 17-butyrate是肾上腺皮质激素类活性分子。
名称和标识符
MDL MFCD00083364
InChIKey BMCQMVFGOVHVNG-TUFAYURCSA-N
Inchi 1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1
SMILES C[C@@]12[C@](C(CO)=O)(OC(CCC)=O)CC[C@@]1([H])[C@]3([H])CCC4=CC(CC[C@]4(C)[C@@]3([H])[C@@H](O)C2)=O
别名信息
- 中文别名 -
  • 丁酸氢化可的松
  • 尤卓尔
  • 氢化可的松丁酸酯
  • 17-丁酸氢化可的松酯
  • 17-丁酸氢化可的松 标准品
  • Hydrocortisone 17-Butyrate 17-丁酸氢化可的松酯
  • 丁酸氢化可的松 USP标准品
  • 丁酸氢化可的松(USP31)
  • 丁酸氢化可的松,CP2005, EP, BP
  • 17-丁酸11β,17,21-三羟基孕-4-烯-3,20-二酮
  • 17-丁酸皮质醇酯
  • 氢化可的松17丁酸杂质
  • 氢化可的松17-丁酸酯
  • 氢化可的松丁酸酯标准品
  • 氢化可的松丁酸盐
- 英文别名 -
  • hydrocortisone 17-butyrate
  • Hydrocortisone Butyrate
  • Hydrocortisone-17-butyrate
  • [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
  • 11β,17,21-Trihydroxypregn-4-ene-3,20-dione 17-Butyrate
  • Cortisol 17-Butyrate
  • HYDROCORTISONE BUTYRATE CP
  • 11b,17,21-Trihydroxypregn-4-ene-3,20-dione 17-butyrate
  • h.17b
  • locoid
  • Plancol
  • Laticort
  • hb(sub17)
  • Hydrocortisone-17-bu
  • Cortisol 17-butyrate
  • Hydrocortisone butyrate
  • Hydrocortisone 17-butyrate
  • EN300-7403907
  • NSC 758433
  • Pregn-4-ene-3,20-dione, 11,21-dihydroxy-17-(1-oxobutoxy)-, (11-beta)-
  • Hydrocortisone butyrate, United States Pharmacopeia (USP) Reference Standard
  • Epitope ID:119710
  • UNII-05RMF7YPWN
  • Hydrocortisone butyrate (JP17/USP)
  • Alfason
  • H-17-B
  • 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 17-butyrate
  • 17-O-butyrylcortisol
  • Hydrocortisone butyrate [USAN:USP:BAN:JAN]
  • HYDROCORTISONE BUTYRATE (USP MONOGRAPH)
  • s6590
  • HYDROCORTISONE BUTYRATE (MART.)
  • BDBM323672
  • HYDROCORTISONE BUTYRATE [VANDF]
  • 11beta,21-dihydroxy-3,20-dioxopregn-4-en-17-yl butanoate
  • CS-4474
  • US10188667, Example 00013
  • US10188667, Example 00024
  • EINECS 237-093-4
  • SMR000058859
  • SCHEMBL4695
  • HMS2231B16
  • NCGC00095037-01
  • CHEBI:31674
  • NCGC00274077-01
  • HB(sub 17)
  • 'MLS001076086-01!11BETA,17,21-TRIHYDROXYPREGN-4-ENE-3,20-DIONE 17-BUTYRATE'
  • hydrocortisone-butyrate
  • BCP11925
  • hydrocortisone butyrate
  • Locoid
  • Hydrocortisone-17alpha-butyrate
  • 05RMF7YPWN
  • Tox21_111397_1
  • Aquax-H
  • Lacoid
  • CORTISOL, 17-BUTYRATE
  • butanoic acid [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
  • HYDROCORTISONE BUTYRATE [USP-RS]
  • Lacoidon
  • locoid (TN)
  • HY-B0983
  • Hydrocortisone Butyrate (Hydrocortisone 17-Butyrate)
  • 11.BETA.,17,21-TRIHYDROXYPREGN-4-ENE-3,20-DIONE 17-BUTYRATE
  • Tox21_111397
  • Opera_ID_188
  • HYDROCORTISONE BUTYRATE [MART.]
  • HYDROCORTISONE BUTYRATE [USP MONOGRAPH]
  • CAS-13609-67-1
  • DTXCID2025896
  • Hycortate
  • DTXSID4045896
  • Hydrocortisone butyrate (USAN:USP:BAN:JAN)
  • MLS002207122
  • D01619
  • AC-492
  • NSC-758433
  • HYDROCORTISONE BUTYRATE [WHO-DD]
  • HYDROCORTISONE BUTYRATE [JAN]
  • AKOS015895443
  • Cortisol 17-butyrate
  • Hydrocortisone butyrate
  • (1R,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl butanoate
  • (8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl butanoate
  • H.17B
  • 11beta,21-dihydroxy-17alpha-butyryloxy-4-pregnene-3,20-dione
  • W-108252
  • HYDROCORTISONE BUTYRATE [USAN]
  • HYDROCORTISONE BUTYRATE [ORANGE BOOK]
  • Pregn-4-ene-3,20-dione, 11,21-dihydroxy-17-(1-oxobutoxy)-, (11beta)-
  • (1S,10S,11S,15S,17S,2R,14R)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-5-ox otetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-6-en-14-yl butanoate
  • HYDROCORTISONE 17-BUTYRATE [MI]
  • H1506
  • Locoid Lipocream
  • 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 17-butanoate
  • HYDROCORTISONE BUTYRATE (USP-RS)
  • Pregn-4-ene-3,20-dione, 11,21-dihydroxy-17-(1-oxobutoxy)-, (11.beta.)-
  • Bucort
  • 11-beta,17-alpha,21-Trihydroxy-4-pregnene-3,20-dione 17-alpha-butyrate
  • DB14540
  • [(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
  • MFCD00083364
  • 13609-67-1
  • CHEMBL1683
  • MLS000028716
  • MLS001076086
  • A807026
  • Q5954743
  • NS00015430
物化性质
实验特性
LogP 3.13260
PSA 100.90000
Merck 4787
折射率 1.4593 (estimate)
沸点 466.2°C (rough estimate)
熔点 210.0 to 214.0 deg-C
闪点 194°C
溶解度 生物体外In Vitro:DMSO溶解度≥ 125 mg/mL(288.98 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知.
颜色与性状 No data available
密度 1.0914 (rough estimate)
计算特性
精确分子量 432.25100
氢键供体数量 2
氢键受体数量 6
可旋转化学键数量 6
同位素质量 432.251189
重原子数量 31
复杂度 817
同位素原子数量 0
确定原子立构中心数量 7
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)
互变异构体数量 15
表面电荷 0
拓扑分子极性表面积 101
国际标准相关数据
EINECS 237-093-4
海关数据
海关编码 2937210000
海关数据

中国海关编码:

2937210000
相关文献
专业数据库参考
PubChemId 253660488
参考资料
Reaxys RN 3634702
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