129970-98-5 (培哚普利二酮哌嗪,Perindopril Diketopiperazine)

CAS号:
129970-98-5
中文名称:
培哚普利二酮哌嗪
英文名称:
Perindopril Diketopiperazine
分子式:
C19H30N2O4
分子量:
350.452505588531

培哚普利二酮哌嗪(129970-98-5)名称与标识符

名称

中文别名:
培哚普利二酮哌嗪;(S)-2-((3S,5AS,9AS,10AS)-3-甲基-1,4-二氧十氢吡嗪并[1,2-A]吲哚-2(1H)-基)戊酸乙酯;甲基-13C苯基砜;培哚普利相关物质F;培哚普利杂质F;培哚普利EP杂质F;培哚普利杂质 F;培哚普利 相关物质F;
英文别名:
Perindopril Diketopiperazine;ethyl (2S)-2-[(3S,5aS,9aS,10aS)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3H-pyrazino[1,2-a]indol-2-yl]pentanoate;Perindopril Diketopi;PERINDOPRIL EP IMPURITY F;2-quinolineacetic acid ethyl ester;diketopiperazine;ethyl 2-quinolineacetate;ETHYL QUINOLINE-2-ACETATE;Perindopril Related Compound F;quinolin-2-yl-acetic acid ethyl ester;(αS,3S,5aS,9aS,10aS)-Decahydro-3-methyl-1,4-dioxo-α-propylpyrazino[1,2-a]indole-2(1H)-acetic acid ethyl ester;(S)-Ethyl 2-{(3S,5aS,9aS,10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl}pentanoate;(alphaS,3S,5aS,9aS,10aS)-Decahydro-3-methyl-1,4-dioxo-alpha-propylpyrazino[1,2-a]indole-2(1H)-acetic acid ethyl ester;Perindopril IMpurity F;Perindopril IMpurity – F (EP);[3S-[2(R*),3α,5aβ,9aβ,10aβ]]-;ethyl (S)-2-((3S,5aS,9aS,10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl)pentanoate;DTXCID3078765;4N1VIR66DL;129970-98-5;ethyl (2s)-2-[(3s,5as,9as,10as)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1h)-yl]pentanoate;G76586;UNII-4N1VIR66DL;Pyrazino(1,2-a)indole-2(1H)-acetic acid, decahydro-3-methyl-1,4-dioxo-alpha-propyl-, ethyl ester, (alphaS,3S,5aS,9aS,10aS)-;(S)-Ethyl2-((3S,5aS,9aS,10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl)pentanoate(PerindoprilImpurity);ethyl (2S)-2-[(3S,5aS,9aS,10aS)-3-methyl-1,4-dioxo-dodecahydropyrazino[1,2-a]indol-2-yl]pentanoate;Ethyl (2S)-2-((3S,5aS,9aS,10aS)-3-methyl-1,4-dioxodecahydropyrazino(1,2-a)indol-2(1H)-yl)pentanoate;PYRAZINO(1,2-A)INDOLE-2(1H)-ACETIC ACID, DECAHYDRO-3-METHYL-1,4-DIOXO-.ALPHA.-PROPYL-, ETHYL ESTER, (.ALPHA.S,3S,5AS,9AS,10AS)-;(S)-Ethyl 2-((3S,5aS,9aS,10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl)pentanoate;Perindopril lactam/Perindopril diketopiperazine;(S)-ETHYL 2-((3S,5AS,9AS,10AS)-3-METHYL-1,4-DIOXODECAHYDROPYRAZINO[1,2-A]INDOL-2(1H)-YL)PENTANOATE (PERINDOPRIL IMPURITY);(S)-Ethyl 2-((3S,5aS,9aS,10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl)pentanoate ,95%;Perindopril tert-butylamine specified impurity F;DTXSID60156274;Q27260186;PERINDOPRIL TERT-BUTYLAMINE IMPURITY F (EP IMPURITY);J-005728;PERINDOPRIL TERT-BUTYLAMINE IMPURITY F [EP IMPURITY];Perindopril tert-butylamine specified impurity F [EP];SCHEMBL3794364;

标识符

InChIKey:
BSZZSBSELAVBAG-QXKUPLGCSA-N
Inchi:
1S/C19H30N2O4/c1-4-8-15(19(24)25-5-2)20-12(3)17(22)21-14-10-7-6-9-13(14)11-16(21)18(20)23/h12-16H,4-11H2,1-3H3/t12-,13-,14-,15-,16-/m0/s1
SMILES:
O=C1[C@@H]2C[C@@H]3CCCC[C@@H]3N2C([C@H](C)N1[C@H](C(=O)OCC)CCC)=O

培哚普利二酮哌嗪(129970-98-5)物化性质

实验特性

  • LogP : 1.98440
  • PSA : 66.92000
  • 熔点 : 98-101°C
  • 溶解度 : Very 微溶 (0.12 g/L) (25 ºC),
  • 密度 : 1.17±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 350.22100
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 6
  • 同位素质量 : 350.22055744g/mol
  • 重原子数量 : 25
  • 复杂度 : 550
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 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) : 2.9
  • 拓扑分子极性表面积 : 66.9Ų

培哚普利二酮哌嗪(129970-98-5)上下游

培哚普利二酮哌嗪(129970-98-5)参考资料

Reaxys RN:
PubChem CID: