287980-85-2 (无水奈韦拉平杂质C,BIRG 613 BS)

CAS号:
287980-85-2
中文名称:
无水奈韦拉平杂质C
英文名称:
BIRG 613 BS
分子式:
C15H16N4O
分子量:
268.313742637634

无水奈韦拉平杂质C(287980-85-2)名称与标识符

名称

中文别名:
无水奈韦拉平杂质C;5,11-二氢-4-甲基-11-丙基-6H-二吡啶并[3,2-B:2',3'-E][1,4]二氮杂卓-6-酮;奈韦拉平杂质Ⅲ;奈韦拉平杂质C(EP) 标准品;萘维拉平杂质C;
英文别名:
Imp. C (EP): 4-Methyl-11-propyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one;4-methyl-11-propyl-5H-dipyrido[2,3-e:2',3'-f][1,4]diazepin-6-one;5,11-DIHYDRO-6H-11-PROPYL-4 -METHYL-DIPYRIDO [3,2-b:2’,3’-e][1,4] DIAZEPIN-6-ONE;5,11-Dihydro-4-methyl-11-propyl-6H-dipyrido[3,2-b:2′,3′-e][1,4]diazepin-6-one;BIRG 613 BS;Nevirapine Anhydrous Imp. C;NEVIRAPINE ANHYDROUS IMPURITY C [WHO-IP];5,11-Dihydro-6H-11-propyl-4-methyl-dipyrido(3,2-b:2',3'-E) (1,4)diazepin-6-one;6H-Dipyrido(3,2-b:2',3'-E)(1,4)diazepin-6-one, 5,11-dihydro-4-methyl-11-propyl-;NEVIRAPINE HEMIHYDRATE IMPURITY C [WHO-IP];5,11-Dihydro-4-methyl-11-propyl-6H-dipyrido[3,2-b:2a(2),3a(2)-e][1,4]diazepin-6-one;7-methyl-2-propyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;11-Descyclopropyl-11-propylnevirapine;Nevirapine Anhydrous Imp. C (EP); Nevirapine USP Related Compound C; Nevirapine USP RC C; 4-Methyl-11-propyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one; Nevirapine Related Compound C; Nevirapine Impurity C;Nevirapine hemihydrate specified impurity C [EP];9V99494MI7;287980-85-2;NEVIRAPINE HEMIHYDRATE IMPURITY C [EP IMPURITY];Nevirapine impurity C RS [USP];DTXSID801139800;BB178052;Nevirapine impurity C;BIRG-613 BS;Nevirapine, anhydrous specified impurity C [EP];Q27273273;UNII-9V99494MI7;4-Methyl-11-propyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one;NEVIRAPINE IMPURITY C [USP IMPURITY];NEVIRAPINE IMPURITY C [EP IMPURITY];

标识符

InChIKey:
YYEJELOKUZITDZ-UHFFFAOYSA-N
Inchi:
1S/C15H16N4O/c1-3-9-19-13-11(5-4-7-16-13)15(20)18-12-10(2)6-8-17-14(12)19/h4-8H,3,9H2,1-2H3,(H,18,20)
SMILES:
O=C1C2C=CC=NC=2N(C2C(=C(C)C=CN=2)N1)CCC

无水奈韦拉平杂质C(287980-85-2)物化性质

实验特性

  • 溶解度 : Very 微溶 (0.15 g/L) (25 ºC),
  • 密度 : 1.196±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 268.13241115g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 同位素质量 : 268.13241115g/mol
  • 重原子数量 : 20
  • 复杂度 : 362
  • 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 : 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) : 2.3
  • 拓扑分子极性表面积 : 58.1Ų

无水奈韦拉平杂质C(287980-85-2)安全信息

无水奈韦拉平杂质C(287980-85-2)推荐厂家 更多厂家(6)