3-Isobutyl-1-methylxanthine (IBMX)

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Systematic / IUPAC Name: 3-Isobutyl-1-methyl-3,9-dihydro-1H-purine-2,6-dione

ID: Reference1737

Other Names: 1-Methyl-3-isobutylxanthine;
Xanthine, 3-isobutyl-1-methyl-;
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-;
1-Methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;
3-Isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione ; more

Formula: C10H14N4O2

Spectral Data

3-Isobutyl-1-methylxanthine (IBMX) 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 2
No. of Spectra 146
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/1/2014 5:16:26 PM
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Identificators

InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
InChI Key APIXJSLKIYYUKG-UHFFFAOYSA-N
Canonical SMILES CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2
CAS 28822584
Splash
Other Names 1-Methyl-3-isobutylxanthine;
Xanthine, 3-isobutyl-1-methyl-;
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-;
1-Methyl-3-(2-methylpropyl)-7H-purine-2,6-dione;
3-Isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione;
3,7-Dihydro-3-isobutyl-1-methyl-1H-purine-2,6-dione;
1-Methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione;
3-Isobutyl-1-methyl-2,6(1H,3H)-purinedione;
3,7-Dihydro-1-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione;
3-Isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione;
1-Methyl-3-(2-methylpropyl)-1,3,7-trihydropurine-2,6-dione;
1-Methyl-3-(2-methylpropyl)-3,9-dihydro-1H-purine-2,6-dione

In Other Databases

PubChem 3758
ChEMBL CHEMBL275084
ChemSpider 3627
KEGG C13708
ChEBI CHEBI:34795; CHEBI:43253
Wikipedia IBMX
ChemIDPlus 028822584