141437-88-9 (Deacetyl Racecadotril Disulfide,Deacetyl Racecadotril Disulfide)

CAS号:
141437-88-9
中文名称:
Deacetyl Racecadotril Disulfide
英文名称:
Deacetyl Racecadotril Disulfide
分子式:
C38H40N2O6S2
分子量:
684.864007949829

Deacetyl Racecadotril Disulfide(141437-88-9)名称与标识符

名称

中文别名:
消旋卡多曲杂质H;
英文别名:
Deacetyl Racecadotril Disulfide;G71699;Dibenzyl 5,10-dibenzyl-4,11-dioxo-7,8-dithia-3,12-diazatetradecanedioate;N,N'-[Dithiobis[1-oxo-2-(phenylmethyl)-3,1-propanediyl]]bis-glycine Bis(phenylmethyl) Ester;Glycine, N,N'-(dithiobis(1-oxo-2-(phenylmethyl)-3,1-propanediyl))bis-, bis(phenylmethyl) ester;UNII-XFE6MG8RXU;RACECADOTRIL IMPURITY H [EP IMPURITY];Racecadotril impurity H [EP];benzyl 2-(2-{[(2-benzyl-2-{[2-(benzyloxy)-2-oxoethyl]carbamoyl}ethyl)disulfanyl]methyl}-3-phenylpropanamido)acetate;dibenzyl 2,2'-((3,3'-disulfanediylbis(2-benzylpropanoyl))bis(azanediyl))diacetate;141437-88-9;benzyl 2-[[2-benzyl-3-[[2-benzyl-3-oxo-3-[(2-oxo-2-phenylmethoxyethyl)amino]propyl]disulfanyl]propanoyl]amino]acetate;XFE6MG8RXU;Deacetyl racecadotril dimer;

标识符

InChIKey:
SHIRAPUEIHEARH-UHFFFAOYSA-N
Inchi:
1S/C38H40N2O6S2/c41-35(45-25-31-17-9-3-10-18-31)23-39-37(43)33(21-29-13-5-1-6-14-29)27-47-48-28-34(22-30-15-7-2-8-16-30)38(44)40-24-36(42)46-26-32-19-11-4-12-20-32/h1-20,33-34H,21-28H2,(H,39,43)(H,40,44)
SMILES:
S(CC(C(NCC(=O)OCC1C=CC=CC=1)=O)CC1C=CC=CC=1)SCC(C(NCC(=O)OCC1C=CC=CC=1)=O)CC1C=CC=CC=1

Deacetyl Racecadotril Disulfide(141437-88-9)物化性质

计算特性

  • 精确分子量 : 684.23277935g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 21
  • 同位素质量 : 684.23277935g/mol
  • 重原子数量 : 48
  • 复杂度 : 883
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 2
  • 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) : 6.2
  • 拓扑分子极性表面积 : 161Ų

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Deacetyl Racecadotril Disulfide(141437-88-9)参考资料

Reaxys RN:
PubChem CID: