Alogliptin benzoate

CAS Registry Number®

850649-62-6
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CAS Name

Alogliptin benzoate

Molecular Formula

C18H21N5O2.C7H6O2

Cite this Page

Alogliptin benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=850649-62-6 (retrieved 2022-12-04) (CAS RN: 850649-62-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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(O)(=O)C1=CC=CC=C1.C(N1C(=CC(=O)N(C)C1=O)N2C[C@H](N)CCC2)C3=C(C#N)C=CC=C3

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