87619-83-8 (2,2'-亚氨双乙醇 硼酸单酯,4,4'-(1-Methylethyl)iminobis(2-hydroxy-3,1-propanediyl)oxybis-benzeneacetamide (Atenolol Impurity F))

CAS号:
87619-83-8
中文名称:
2,2'-亚氨双乙醇 硼酸单酯
英文名称:
4,4'-(1-Methylethyl)iminobis(2-hydroxy-3,1-propanediyl)oxybis-benzeneacetamide (Atenolol Impurity F)
分子式:
C25H35N3O6
分子量:
473.561907052994
API:

2,2'-亚氨双乙醇 硼酸单酯(87619-83-8)名称与标识符

名称

中文别名:
3,4-二氯联苯;阿替洛尔EP杂质F;阿替洛尔相关物质D;阿替洛尔杂质D;阿替洛尔杂质F;阿替洛尔杂质F(EP) 标准品;氨酰心胺杂质F;2,2'-亚氨双乙醇 硼酸单酯;4,4'-[[(1-甲基乙基)亚氨基]二[(2-羟基-3,1-丙烷二基)氧基]]二(苯乙酰胺);
英文别名:
4,4'-[[(1-Methylethyl)imino]bis[(2-hydroxy-3,1-propanediyl)oxy]]bis-benzeneacetamide (Atenolol Impurity F);2,2'-((((Isopropylazanediyl)bis(2-hydroxypropane-3,1-diyl))bis(oxy))bis(4,1-phenylene))diacetamide;4,4'-[[(1-Methylethyl)imino]bis[(2-hydroxy-3,1-propanediyl)oxy]]bis-benzeneacetamide (Atenolol Impurity F);4,4;4,4'-[[(1-METHYLETHYL)IMINO]BIS[(2-HYDROXY-3,1-PROPANEDIYL)OXY]]BIS-BENZENEACETAMIDE;ATENOLOL IMPURITY F;ATN06 ATENOLOL EP IMPURITY F 2,2'-[(1-METHYLETHYL)IMINOBIS(2-HYDROXYPROPAN-3,1-DIYLOXY-4,1-PHENYLENE)] DIACETAMIDE;4,4′-[[(1-Methylethyl)imino]bis[(2-hydroxy-3,1-propanediyl)oxy]]bis[benzeneacetamide] (ACI);2,2′-((((Isopropylazanediyl)bis(2-hydroxypropane-3,1-diyl))bis(oxy))bis(4,1-phenylene))diacetamide;2-[4-[3-[[3-[4-(2-Amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide;2,2'-[[(1-Methylethyl)imino]bis[(2-hydroxypropane-3,1-diyl)oxy-4,1-phenylene]]diacetamide;MFCD03828164;2,2-(((Propan-2-yl)azanediyl)bis((2-hydroxypropane-3,1-diyl)oxy-4,1-phenylene))diacetamide;MLS003878642;8UO8372UKO;SMR000558562;2-(4-(3-((3-(4-(2-Amino-2-oxoethyl)phenoxy)-2-hydroxypropyl)-propan-2-ylamino)-2-hydroxypropoxy)phenyl)acetamide;Atenolol impurity F [EP];2,2'-[[(1-Methylethyl)imino]bis[(2-hydroxypropane-3,1-diyl)oxy-4,1-phenylene]]diacetamide; Atenolol Imp. F (EP); Atenolol Related Compound D; Atenolol Impurity F;UNII-8UO8372UKO;N-Des(isopropyl)atenolol dimer;MLS001196013;2,2'-(4,4'-(3,3'-(isopropylazanediyl)bis(2-hydroxypropane-3,1-diyl))bis(oxy)bis(4,1-phenylene))diacetaMide;Atenolol impurity D;DS-015758;4,4'-(((1-Methylethyl)imino)bis((2-hydroxy-3,1-propanediyl)oxy))bis-benzeneacetamide;Atenolol EP Impurity F;2-(4-(3-[(3-[4-(2-Amino-2-oxoethyl)phenoxy]-2-hydroxypropyl)(isopropyl)amino]-2-hydroxypropoxy)phenyl)acetamide #;N-Isopropyl-N,N-bis(3-(4-(2-amino-2-oxoethyl)phenoxy)-2-hydroxyprop-1-yl)amine;SCHEMBL662466;HMS2852B24;SYUQLMYOHVGLTC-UHFFFAOYSA-N;CHEMBL1718707;DTXSID801348918;4,4a(2)-[[(1-Methylethyl)imino]bis[(2-hydroxy-3,1-propanediyl)oxy]]bis[benzeneacetamide];87619-83-8;N,N-Di-(3-p-carbamoylmethylphenoxy-2-hydroxypropyl)isopropylamine;Benzeneacetamide, 4,4'-(((1-methylethyl)imino)bis((2-hydroxy-3,1-propanediyl)oxy))bis-;AKOS001695263;ATENOLOL IMPURITY F [EP IMPURITY];

标识符

MDL:
MFCD03828164
InChIKey:
SYUQLMYOHVGLTC-UHFFFAOYSA-N
Inchi:
1S/C25H35N3O6/c1-17(2)28(13-20(29)15-33-22-7-3-18(4-8-22)11-24(26)31)14-21(30)16-34-23-9-5-19(6-10-23)12-25(27)32/h3-10,17,20-21,29-30H,11-16H2,1-2H3,(H2,26,31)(H2,27,32)
SMILES:
O=C(CC1C=CC(OCC(CN(C(C)C)CC(COC2C=CC(CC(N)=O)=CC=2)O)O)=CC=1)N

2,2'-亚氨双乙醇 硼酸单酯(87619-83-8)物化性质

实验特性

  • LogP : 2.03280
  • PSA : 148.34000
  • 沸点 : 780.4±60.0 °C at 760 mmHg
  • 熔点 : 160-162oC
  • 蒸气压 : 0.0±2.8 mmHg at 25°C
  • 闪点 : 425.7±32.9 °C
  • 溶解度 : Very 微溶 (0.25 g/L) (25 ºC),
  • 密度 : 1.231±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 473.25300
  • 氢键供体数量 : 4
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 15
  • 同位素质量 : 473.25258584g/mol
  • 重原子数量 : 34
  • 复杂度 : 556
  • 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) : 0.8
  • 拓扑分子极性表面积 : 148Ų

2,2'-亚氨双乙醇 硼酸单酯(87619-83-8)安全信息

2,2'-亚氨双乙醇 硼酸单酯(87619-83-8)国际标准相关数据

EINECS:

2,2'-亚氨双乙醇 硼酸单酯(87619-83-8)参考资料

Reaxys RN:
PubChem CID: