209747-04-6 (Tolterodine Lactol Impurity,rac-6-Methyl-4-phenyl-2-chromanol (Tolterodine Impurity)(Mixture of Diastereomers))

CAS号:
209747-04-6
中文名称:
Tolterodine Lactol Impurity
英文名称:
rac-6-Methyl-4-phenyl-2-chromanol (Tolterodine Impurity)(Mixture of Diastereomers)
分子式:
C16H16O2
分子量:
240.297044754028

Tolterodine Lactol Impurity(209747-04-6)名称与标识符

名称

中文别名:
托特罗定半缩醛杂质;托特罗定乳醇杂质;
英文别名:
Tolterodine Lactol Impurity;rac-6-Methyl-4-phenyl-2-chromanol (Tolterodine Impurity) (Mixture of Diastereomers);6-methyl-4-phenyl-3,4-dihydro-2H-chromen-2-ol;rac-6-Methyl-4-phenyl-2-chromanol (Tolterodine Impurity) (Mixture of Diastereomers);RAC-6-METHYL-4-PHENYL-2-CHROMANOL (TOLTERODINE IMPURITY);DTXSID50459483;6-Methyl-4-phenylchroman-2-ol;rac-6-Methyl-4-phenyl-2-chromanol;AKOS030254919;3,4-dihydro-6-methyl-4-phenyl-2h-1-benzopyran-2-ol;2H-1-Benzopyran-2-ol,3,4-dihydro-6-methyl-4-penpyl-;6-Methyl-4-phenyl-2-chromanol;UNII-K8U68SF3V5;3,4-dihydro-6-methyl-4-phenyl-2H-benzopyran-2-ol;JGRSOLBFAHJDTL-UHFFFAOYSA-N;SCHEMBL815552;J-013743;2H-1-Benzopyran-2-ol, 3,4-dihydro-6-methyl-4-phenyl-; 3,4-Dihydro-6-methyl-4-phenyl-2H-1-benzopyran-2-ol; 3,4-Dihydro-6-methyl-4-phenyl-2H-benzopyran-2-ol; 6-Methyl-4-phenyl-2-chromanol; (4RS)-6-Methyl-4-phenylchroman-2-ol; Tolterodine Impurity;TOLTERODINE IMPURITY 13;6-methyl-4-phenyl-3,4-dihydro-2h-1-benzopyran-2-ol;TOLTERODINEIMPURITY13;2H-1-Benzopyran-2-ol, 3,4-dihydro-6-methyl-4-phenyl-;209747-04-6;K8U68SF3V5;

标识符

MDL:
MFCD23104241
InChIKey:
JGRSOLBFAHJDTL-UHFFFAOYSA-N
Inchi:
1S/C16H16O2/c1-11-7-8-15-14(9-11)13(10-16(17)18-15)12-5-3-2-4-6-12/h2-9,13,16-17H,10H2,1H3
SMILES:
O1C2C=CC(C)=CC=2C(C2C=CC=CC=2)CC1O

Tolterodine Lactol Impurity(209747-04-6)物化性质

实验特性

  • PSA : 29.46
  • 沸点 : 377.2±42.0 °C at 760 mmHg
  • 蒸气压 : 0.0±0.9 mmHg at 25°C
  • 闪点 : 167.6±22.1 °C
  • 密度 : 1.2±0.1 g/cm3

计算特性

  • 精确分子量 : 240.11508
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 同位素质量 : 240.115029749g/mol
  • 重原子数量 : 18
  • 复杂度 : 272
  • 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) : 3.6
  • 拓扑分子极性表面积 : 29.5Ų

Tolterodine Lactol Impurity(209747-04-6)国际标准相关数据

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Tolterodine Lactol Impurity(209747-04-6)参考资料

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PubChem CID: