Gabapentin

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Systematic / IUPAC Name: [1-(Aminomethyl)cyclohexyl]acetic acid

ID: Reference725

Other Names: 2-[1-(Aminomethyl)cyclohexyl]acetic acid;
Cyclohexaneacetic acid, 1-(aminomethyl)-;
2-[(Aminomethyl)cyclohexyl]acetic acid;
Neurontin;
Gabapentine ; more

Formula: C9H17NO2

Class: Therapeutics/Prescription Drugs

Spectral Data

Gabapentin 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 LTQ Orbitrap XL; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 226
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/27/2015 3:14:51 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
InChI Key UGJMXCAKCUNAIE-UHFFFAOYSA-N
Canonical SMILES C1CCC(CC1)(CC(=O)O)CN
CAS 60142963
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Other Names 2-[1-(Aminomethyl)cyclohexyl]acetic acid;
Cyclohexaneacetic acid, 1-(aminomethyl)-;
2-[(Aminomethyl)cyclohexyl]acetic acid;
Neurontin;
Gabapentine;
Aclonium;
Gabapen

In Other Databases

DrugBank APRD00015
HMDb HMDB05015; HMDB05015
Wikipedia Gabapentin
PubChem 3446; 6919078
ChEBI CHEBI:42797
ChEMBL CHEMBL940
KEGG D00332
ChemIDPlus 060142963
ChemSpider 3328; 21230473