Vildagliptin

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Systematic / IUPAC Name: (2S)-1-{2-[(3-Hydroxy-1-adamantyl)amino]acetyl}pyrrolidine-2-carbonitrile

ID: Reference3557

Other Names: Equa;
Jalra;
Xiliarx;
(2S)-1-[(3-Hydroxyadamantan-1-yl)glycyl]pyrrolidine-2-carbonitrile ;
(2S)-1-{2-[(3-Hydroxyadamantan-1-yl)amino]acetyl}pyrrolidine-2-carbonitrile ; more

Formula: C17H25N3O2

Class: Therapeutics/Prescription Drugs

Spectral Data

Vildagliptin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 56
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/12/2016 2:27:38 PM
View Mass Spec Data > >

Identificators

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
InChI Key SYOKIDBDQMKNDQ-XWTIBIIYSA-N
Canonical SMILES C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N
CAS 274901165
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Other Names Equa;
Jalra;
Xiliarx;
(2S)-1-[(3-Hydroxyadamantan-1-yl)glycyl]pyrrolidine-2-carbonitrile ;
(2S)-1-{2-[(3-Hydroxyadamantan-1-yl)amino]acetyl}pyrrolidine-2-carbonitrile;
(2S)-1-{2-[(3-Hydroxytricyclo[3.3.1.13,7]dec-1-yl)amino]acetyl}-2-pyrrolidinecarbonitrile ;
2-Pyrrolidinecarbonitrile, 1-{2-[(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)amino]acetyl}-, (2S)-

In Other Databases

DrugBank DB04876
PubChem 6918537
Wikipedia Vildagliptin
ChEMBL CHEMBL142703
HMDb HMDB15596
ChemSpider 5293734
KEGG D07080