1638544-64-5 ((S)-Alogliptin Benzoate Salt,(S)-Alogliptin Benzoate Salt)

CAS号:
1638544-64-5
中文名称:
(S)-Alogliptin Benzoate Salt
英文名称:
(S)-Alogliptin Benzoate Salt
分子式:
C25H27N5O4
分子量:
461.512985467911

(S)-Alogliptin Benzoate Salt(1638544-64-5)名称与标识符

名称

中文别名:
(S)-Alogliptin Benzoate Salt;苯甲酸阿格列汀杂质D;S-阿格列汀盐酸盐;(S)-阿格列汀苯磺酸盐;(S)-2-((6-(3-氨基哌啶-1-基)-3-甲基-2,4-二氧代-3,4-二氢嘧啶-1(2H)-基)甲基)苯甲腈 苯甲酸盐;阿格列汀杂质155;苯甲酸阿格列汀对映异构体;阿格列汀异构体游离态;苯甲酸阿格列汀杂质3;
英文别名:
(S)-Alogliptin Benzoate Salt;(S)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)methyl)benzonitrile benzoate;CID 117704323;(S)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile benzoate;Alogliptin Benzoate S-Isomer;Alogliptin impurity 10/(S)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile benzoate;Alogliptin-7;alogliptina impurity 3;alogliptin impurities155;alogliptin impurities8;

标识符

InChIKey:
KEJICOXJTRHYAK-RSAXXLAASA-N
Inchi:
1S/C18H21N5O2.C7H6O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19;8-7(9)6-4-2-1-3-5-6/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3;1-5H,(H,8,9)/t15-;/m0./s1
SMILES:
O=C1N(C)C(C=C(N1CC1C=CC=CC=1C#N)N1CCC[C@@H](C1)N)=O.OC(C1C=CC=CC=1)=O

(S)-Alogliptin Benzoate Salt(1638544-64-5)物化性质

实验特性

  • 沸点 : Not available
  • 熔点 : Not available
  • 蒸气压 : Not available
  • 闪点 : Not available
  • 溶解度 : Chloroform (Slightly, Sonicated), Ethanol (Slightly, Heated, Sonicated), Methano
  • 密度 : Not available

计算特性

  • 氢键供体数量 : 2
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 4
  • 重原子数量 : 34
  • 复杂度 : 726
  • 拓扑分子极性表面积 : 131

(S)-Alogliptin Benzoate Salt(1638544-64-5)国际标准相关数据

EINECS:

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(S)-Alogliptin Benzoate Salt(1638544-64-5)参考资料

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