CAS Registry Number®
850649-62-6
CAS Name
Alogliptin benzoate
Molecular Formula
C18H21N5O2.C7H6O2
Other Names and Identifiers
InChI
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-;/m1./s1
InChIKey
InChIKey=KEJICOXJTRHYAK-XFULWGLBSA-N
SMILES
C(N1C(=CC(=O)N(C)C1=O)N2C[C@H](N)CCC2)C3=C(C#N)C=CC=C3.C(O)(=O)C1=CC=CC=C1
Canonical SMILES
N#CC=1C=CC=CC1CN2C(=O)N(C(=O)C=C2N3CCCC(N)C3)C.O=C(O)C=1C=CC=CC1
Other Names for this Substance
- Benzonitrile, 2-[[6-[(3R)-3-amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-, benzoate (1:1)
- Benzonitrile, 2-[[6-[(3R)-3-amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-, monobenzoate
- SYR 322
- Alogliptin benzoate
- Nesina
Deleted or Replaced CAS Registry Numbers
865720-54-3
