37927-01-8 (地塞米松磷酸钠杂质G,Dexamethasone Acid)

CAS号:
37927-01-8
中文名称:
地塞米松磷酸钠杂质G
英文名称:
Dexamethasone Acid
分子式:
C21H27FO5
分子量:
378.434490442276

地塞米松磷酸钠杂质G(37927-01-8)名称与标识符

名称

中文别名:
地塞米松酸;6-氯-(2,3-O-异亚丙基)嘌呤核苷;9-氟-11,17-二羟基-16alpha-甲基-3-氧代雄甾-1,4-二烯-17-羧酸;地塞米松磷酸钠杂质G;
英文别名:
Androsta-1,4-diene-17-carboxylicacid, 9-fluoro-11,17-dihydroxy-16-methyl-3-oxo-, (11b,16a,17a)-;(-)-Dexamethasone Acid;Dexamethasone Acid;(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid;Dexamethasone Sodium phosphate Impurity G ((-)-Dexamethasone Acid);Androsta-1,4-diene-17-carboxylic acid, 9-fluoro-11,17-dihydroxy-16-methyl-3-oxo-, (11beta,16alpha,17alpha)-;AKOS030242030;9-Fluoro-11?,17-dihydroxy-16?-methyl-3-oxoandrosta -1,4-diene-17?-carboxylic Acid;FLUOROANDROSTADIENE CARBOXYLIC ACID [USP IMPURITY];9-Fluoro-11beta,17-dihydroxy-16alpha-methyl-3-oxoandrosta-1,4-diene-17beta-carboxylic acid;(11beta,16alpha,17alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid;SCHEMBL1115827;AS-73559;(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1-carboxylic acid;9-Fluoro-11beta,17alpha-dihydroxy-16alpha-methyl-3-oxoandrosta-1,4-diene-17beta-carboxylic Acid;(11?,16?,17?)-9-Fluoro-11,17-dihydroxy-16-methyl-3-oxo-androsta-1,4-diene-17-carboxylic Acid; (-)-Dexamethasone acid; 9-Fluoro-11?,17-dihydroxy-16?-methyl-3-oxoandrosta-1,4-diene-17?-carboxylic acid; Dexamethasone Sodium Phosphate Imp. G (EP); Dexamethasone Sodium Phosphate Impurity G; Dexamethasone Phosphate Impurity G;ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID, 9-FLUORO-11,17-DIHYDROXY-16-METHYL-3-OXO-, (11.BETA.,16.ALPHA.,17.ALPHA.)-;Dexamethasone sodium phosphate impurity G [EP];(8S,9R,10S,11S,13S,14S,16R,17R)-9-FLUORO-11,17-DIHYDROXY-10,13,16-TRIMETHYL-3-OXO-6,7,8,9,10,11,12,13,14,15,16,17-DODECAHYDRO-3H-CYCLOPENTA[A]PHENANTHRENE-17-CARBOXYLIC ACID;W19714;9-FLUORO-11.BETA.,17-DIHYDROXY-16.ALPHA.-METHYL-3-OXOANDROSTA-1,4-DIENE-17.BETA.-CARBOXYLIC ACID;BP8U81ZN41;UNII-BP8U81ZN41;DTXSID80512171;9-Fluoro-11,17-dihydroxy-16a-methyl-3-oxoandrosta-1,4-diene-17-carboxylic Acid;(11?,16?,17?)-9-Fluoro-11,17-dihydroxy-16-methyl-3-oxo-androsta-1,4-diene-17-carboxylic Acid;DEXAMETHASONE SODIUM PHOSPHATE IMPURITY G [EP IMPURITY];Betamethasone acid, (-)-;37927-01-8;(11ss,16a,17a)-9-Fluoro-11,17-dihydroxy-16-methyl-3-oxo-androsta-1,4-diene-17-carboxylic Acid; (-)-Dexamethasone acid; 9-Fluoro-11ss,17-dihydroxy-16a-methyl-3-oxoandrosta-1,4-diene-17ss-carboxylic acid; Dexamethasone Sodium Phosphate Imp. G (EP); Dexamethasone Sodium Phosphate Impurity G; Dexamethasone Phosphate Impurity G;

标识符

MDL:
MFCD12031457
InChIKey:
PFAGPIFFRLDBRN-AFKBWYBQSA-N
Inchi:
1S/C21H27FO5/c1-11-8-15-14-5-4-12-9-13(23)6-7-18(12,2)20(14,22)16(24)10-19(15,3)21(11,27)17(25)26/h6-7,9,11,14-16,24,27H,4-5,8,10H2,1-3H3,(H,25,26)/t11-,14+,15+,16+,18+,19+,20+,21+/m1/s1
SMILES:
F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@@H](C)[C@](C(=O)O)([C@@]1(C)C[C@@H]2O)O)=O)C

地塞米松磷酸钠杂质G(37927-01-8)物化性质

实验特性

  • LogP : 2.41890
  • PSA : 94.83000
  • 折射率 : 1.598
  • 沸点 : 566.865°C at 760 mmHg
  • 熔点 : 274-2770C
  • 闪点 : 296.63°C
  • 密度 : 1.351

计算特性

  • 精确分子量 : 378.18400
  • 氢键供体数量 : 3
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 1
  • 同位素质量 : 378.18425212g/mol
  • 重原子数量 : 27
  • 复杂度 : 789
  • 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) : 2
  • 拓扑分子极性表面积 : 94.8Ų

地塞米松磷酸钠杂质G(37927-01-8)上下游

地塞米松磷酸钠杂质G(37927-01-8)参考资料

Reaxys RN:
PubChem CID: