Sitagliptin

CAS Registry Number®

486460-32-6
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CAS Name

Sitagliptin

Molecular Formula

C16H15F6N5O

Molecular Mass

407.31

Cite this Page

Sitagliptin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=486460-32-6 (retrieved 2024-06-25) (CAS RN: 486460-32-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114.1-115.7 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1

InChIKey

InChIKey=MFFMDFFZMYYVKS-SECBINFHSA-N

SMILES

C(F)(F)(F)C=1N2C(CN(C(C[C@@H](CC3=C(F)C=C(F)C(F)=C3)N)=O)CC2)=NN1

Canonical SMILES

O=C(N1CC2=NN=C(N2CC1)C(F)(F)F)CC(N)CC3=CC(F)=C(F)C=C3F

Other Names for this Substance

  • 1-Butanone, 3-amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-, (3R)-
  • 1,2,4-Triazolo[4,3-a]pyrazine, 7-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-
  • (3R)-3-Amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1-butanone
  • (2R)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine
  • Sitagliptin

Deleted or Replaced CAS Registry Numbers

2755916-94-8

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