| SpectraBase Spectrum ID |
LayzJtapdO3 |
| Name |
(–)-Sitagliptin phosphate |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
13252 |
| Lot Number |
0458277-50 |
| Apodization Function |
Norton-Beer, medium |
| CAS Registry Number |
654671-78-0 |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18F6N5O5P |
| IUPAC Name |
(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, monophosphate |
| 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 |
IQFYVLUXQXSJJN-SBSPUUFOSA-N |
| Instrument Name |
Bio-Rad FTS
|
| SMILES |
C(F)(F)(F)c1[n]2c(CN(C(C[C@@](Cc3c(cc(c(c3)F)F)F)(N)[H])=O)CC2)nn1.OP(O)(O)=O |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
MK-431 |
| Technique |
KBr0 |
