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Details Theophylline

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Role Reference Substance
nameTheophylline
MPIMP IDR001601
stereoisomer 
isotopomerambient
formulaC7H8N4O2
molecular mass180.164
monoisotopic mass180.06472
InChIInChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
InChIKeyZFXYFBGIUFBOJW-UHFFFAOYSA-N
supplierSigma
supplier codeT1633
lot093K0122
purity99
solubility 
generalharmful
amount50
amount unitG
store temperature 1RT
store temperature 2RT
store dryFalse
store under argonFalse
store in darkFalse
contributing authorKunert A, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
date of order 
date in2005-04-01
date out 
date expired 
box number84
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/ReferenceSubstance(guid%27619c98e0-452b-4d14-8c63-d7b1c3c8c099%27)

Synonyms of Theophylline

propertyvalue
BRENDA26765
CAS58-55-9
ChemSpider ID2068
MetaCycCPD-12479
PubChem CID2153
PubChem SID24277677
PubChem SID92298352
synonym1,3-Dimethylxanthine
synonym3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione
synonymTheophylline
11 synonym(s)

Metabolites mapped to Theophylline

Replica of Theophylline

reference substancesuppliersupplier codelot
TheophyllineSigmaT1633 
1 reference substance(s)
compound timestamp information
deposited at 4/15/2009 by Strehmel N., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/7/2013 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Strehmel N., Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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