75883-07-7 (丙酸氯贝他索杂质K(EP),Betamethasone 21-Propionate)

丙酸氯贝他索杂质K(EP)(75883-07-7)名称与标识符

名称

中文别名:
21-丙酸倍他米松;21倍他米松丙酸;倍他米松二丙酸酯杂质C(EP) 标准品;倍他米松戊酸酯杂质C(EP);丙酸氯贝他索杂质K(EP);
英文别名:
Betamethasone 21-Propionate;LogP;BETAMETHASONE DIPROPIONATE IMPURITY C;Betamethasone-21-Propionate;CLOBETASOL PROPIONATE IMPURITY K [EP IMPURITY];91Z2P0I3WH;SCHEMBL11123086;9-FLUORO-11.BETA.,17-DIHYDROXY-16.BETA.-METHYL-21-(PROPIONYLOXY)PREGNA-1,4-DIENE-3,20-DIONE;DTXSID60226784;AKOS030242944;Q27271438;9-Fluoro-11beta,17-dihydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-21-yl Propanoate (Betamethasone 21-Propionate);[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;CHEMBL2114050;75883-07-7;UNII-91Z2P0I3WH;Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(1-oxopropoxy)-, (11beta,16beta)-;9.ALPHA.-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-PROPIONATE;(11beta,16beta)-9-Fluoro-11,17-dihydroxy-16-methyl-21-(1-oxopropoxy)pregna-1,4-diene-3,20-dione;Clobetasol Propionate EP Impurity K;9-Fluoro-11beta,17-dihydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-21-yl propanoate;9ALPHA-FLUORO-11BETA,17,21-TRIHYDROXY-16BETA-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-PROPIONATE;PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11,17-DIHYDROXY-16-METHYL-21-(1-OXOPROPOXY)-, (11.BETA.,16.BETA.)-;9-FLUORO-11BETA,17-DIHYDROXY-16BETA-METHYL-21-(PROPIONYLOXY)PREGNA-1,4-DIENE-3,20-DIONE;CLOBETASOL PROPIONATE IMPURITY K (EP IMPURITY);DTXCID90149275;

标识符

InChIKey:
ALINSFFSOAHJII-XGQKBEPLSA-N
Inchi:
1S/C25H33FO6/c1-5-21(30)32-13-20(29)25(31)14(2)10-18-17-7-6-15-11-16(27)8-9-22(15,3)24(17,26)19(28)12-23(18,25)4/h8-9,11,14,17-19,28,31H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
SMILES:
F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@H](C)[C@](C(COC(CC)=O)=O)([C@@]1(C)C[C@@H]2O)O)=O)C

丙酸氯贝他索杂质K(EP)(75883-07-7)物化性质

实验特性

  • 沸点 : 588.7±50.0 °C at 760 mmHg
  • 熔点 : 223-226?C
  • 蒸气压 : 0.0±3.7 mmHg at 25°C
  • 闪点 : 309.8±30.1 °C
  • 溶解度 : Chloroform, DMSO, Methanol
  • 密度 : 1.3±0.1 g/cm3

计算特性

  • 精确分子量 : 448.22611693g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 5
  • 同位素质量 : 448.22611693g/mol
  • 重原子数量 : 32
  • 复杂度 : 925
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 8
  • 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) : 3.1
  • 拓扑分子极性表面积 : 101Ų

丙酸氯贝他索杂质K(EP)(75883-07-7)参考资料

Reaxys RN:
PubChem CID: