Methylphenidate

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Systematic / IUPAC Name: Methyl phenyl(2-piperidinyl)acetate

ID: Reference2313

Other Names: Calocain;
Centedein;
Centredin;
Concerta ;
Daytrana ; more

Formula: C14H19NO2

Class: Therapeutics/Prescription Drugs Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

Methylphenidate 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 Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/16/2016 2:00:50 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
InChI Key DUGOZIWVEXMGBE-UHFFFAOYSA-N
Canonical SMILES COC(=O)C(C1CCCCN1)C2=CC=CC=C2
CAS 113451
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Other Names Calocain;
Centedein;
Centredin;
Concerta ;
Daytrana;
Medikinet ;
Meridil;
Metadate;
Metadate ER;
Methypatch;
NSC 169868 ;
Phenidylate;
Plimasine;
Riphenidate;
Ritalin SR;
Ritaline;
Ritcher works;
α-Phenyl-α-(2-piperidyl)acetic acid methyl ester;
α-Phenyl-2-piperidineacetic acid methyl ester;
2-Piperidineacetic acid, α-phenyl-, methyl ester;
Methyl α-phenyl-α-(2-piperidyl)acetate;
Methyl α-phenyl-α-2-piperidinylacetate;
Methyl (2-phenyl-2-(2-piperidyl)acetate);
Methyl 2-phenyl-2-(piperidin-2-yl)acetate;
Methyl phenidate;
Methyl phenidyl acetate;
Methyl phenyl(piperidin-2-yl)acetate;
Methylin;
Methylin ER;
Methylofenidan;
Methylphen;
Methylphenidan;
Methylphenidatum;
(+/-)-threo-Methylphenidate

In Other Databases

ChEMBL CHEMBL796
DrugBank DB00422
ChEBI CHEBI:6887
KEGG D04999; C07196
PubChem 4158
Wikipedia Methylphenidate
ChemSpider 4015
ChemIDPlus 000113451