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

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

VildagliptinHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU226631
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:48:01.740761
MetadataModified	2024-01-11T09:48:01.904235
MetadataPublished	2016-02-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
6918537	PubChem
PD009355	ProbesDrugs
GALVUS	clinicaltrials
14898545	PubChem: Thomson Pharma
vildagliptin-laf-237	Selleck
14849686	PubChem: Thomson Pharma
PA165958346	PharmGKB
MolPort-006-167-819	MolPort
CB71449010	ChemicalBook
151480	Brenda
58976	Brenda
25034	Brenda
HMDB0015596	Human Metabolome Database
64118	Brenda
39902	Brenda
75289	Brenda
DTXSID80881091	EPA CompTox Dashboard
DB04876	DrugBank
28294452	eMolecules
CHEMBL142703	ChEMBL
12015446	PubChem: Drugs of the Future
VILDAGLIPTIN	clinicaltrials
3642	DrugCentral
135285	ChEBI
I6B4B2U96P	FDA SRS
LAF237	clinicaltrials
LAF-237	clinicaltrials
NVP-LAF 237	clinicaltrials
NVP-LAF237	clinicaltrials
VILDAGLIPTIN	rxnorm
SCHEMBL16579	SureChEMBL
6310	Guide to Pharmacology
11695	BindingDB
The data in this table is sourced from UniChem at EBI.