| SpectraBase Spectrum ID |
LxvZoHhMePW |
| Name |
Sitagliptin |
| CAS Registry Number |
486460-32-6 |
| Classification |
Antidiabetic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
407.118079100 u |
| Formula |
C16H15N5OF6 |
| 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 |
| InChIKey |
MFFMDFFZMYYVKS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
407.320 g/mol |
| SMILES |
c1(c(cc(c(c1)F)F)CC(CC(N1CC[n]2c(C1)nnc2C(F)(F)F)=O)N)F |
| SPLASH |
splash10-00r2-5910000000-7eba5f1dbf708e29fc71 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: P U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8453 |
