Dataset

Vildagliptin

This MassBank record with Accession MSBNK-Athens_Univ-AU226631 contains the MS2 mass spectrum of Vildagliptin with the InChIkey SYOKIDBDQMKNDQ-XWTIBIIYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
SMILES C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N
InChI Key SYOKIDBDQMKNDQ-XWTIBIIYSA-N
Molecular Formula C17H25N3O2
Exact Mass 303.195 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU226631
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:48:01.740761
MetadataModified 2025-02-08T19:08:04.748200
MetadataPublished 2016-02-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
NVP-LAF237 clinicaltrials
I6B4B2U96P FDA SRS
LAF237 clinicaltrials
LAF-237 clinicaltrials
VILDAGLIPTIN clinicaltrials
NVP-LAF 237 clinicaltrials
VILDAGLIPTIN rxnorm
3642 DrugCentral
11695 BindingDB
6310 Guide to Pharmacology
135285 ChEBI
28294452 eMolecules
CB71449010 ChemicalBook
DB04876 DrugBank
CHEMBL142703 ChEMBL
12015446 PubChem: Drugs of the Future
6918537 PubChem
PD009355 ProbesDrugs
GALVUS clinicaltrials
14898545 PubChem: Thomson Pharma
14849686 PubChem: Thomson Pharma
vildagliptin-laf-237 Selleck
64118 Brenda
75289 Brenda
HMDB0015596 Human Metabolome Database
DTXSID80881091 EPA CompTox Dashboard
PA165958346 PharmGKB
151480 Brenda
58976 Brenda
25034 Brenda
39902 Brenda
SCHEMBL16579 SureChEMBL
The data in this table is sourced from UniChem at EBI.