Sitagliptin phosphate

CAS Registry Number®

654671-78-0

CAS Name

Sitagliptin phosphate

Molecular Formula

C16H15F6N5O.H3O4P

Cite this Page

Sitagliptin phosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=654671-78-0 (retrieved 2024-11-22) (CAS RN: 654671-78-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    215-217 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H15F6N5O.H3O4P/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;1-5(2,3)4/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4)/t9-;/m1./s1

InChIKey

InChIKey=IQFYVLUXQXSJJN-SBSPUUFOSA-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.P(=O)(O)(O)O

Canonical SMILES

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

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)-, phosphate (1:1)
  • 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)-, phosphate (1:1)
  • MK 0431
  • MK 431
  • Sitagliptin phosphate

View All

Deleted or Replaced CAS Registry Numbers

790712-60-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration