7-(2,3-Dihydroxypropyl)theophylline

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Systematic / IUPAC Name: 7-(2,3-Dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

ID: Reference1752

Other Names: Dipropylline;
Dihydroxypropyl theophylline;
7-(β,Υ-Dihydroxypropyl)theophylline;
7-(2,3-Dihydroxypropyl)-1,3-dimethylxanthine;
1,3-Dimethyl-7-(2,3-dihydroxypropyl)xanthine ; more

Formula: C10H14N4O4

Class: Therapeutics/Prescription Drugs

Spectral Data

7-(2,3-Dihydroxypropyl)theophylline 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; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 231
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/1/2014 4:47:35 PM
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Identificators

InChI InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
InChI Key KSCFJBIXMNOVSH-UHFFFAOYSA-N
Canonical SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
CAS 479185
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Other Names Dipropylline;
Dihydroxypropyl theophylline;
7-(β,Υ-Dihydroxypropyl)theophylline;
7-(2,3-Dihydroxypropyl)-1,3-dimethylxanthine;
1,3-Dimethyl-7-(2,3-dihydroxypropyl)xanthine;
1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-;
Theophylline, 7-(2,3-dihydroxypropyl)-;
Dyphylline;
Diprophylline;
Lufyllin;
Corphyllin;
Glyphylline;
Neothylline;
Aristophyllin;
Asthmolysin;
Astrophyllin;
Diprofillin;
Diprofilline;
Hyphylline;
Neophylline;
Neostenovasan;
Neutrafillina;
Neutraphylline;
Propyphyllin;
Protheophylline;
Silbephyllin;
Silbephylline;
Solufyllin;
Soluphyllin;
Synthophylline;
Circain;
Coronal;
Coronarin;
Droxine;
Glyfyllin;
Hiphyllin;
Liactemin;
Neotilina;
Neutrafil;
Purifilin;
Solufilin;
Tefilan;
Thefylan;
Dyflex;
Neufil;
Teofen;
Theal;
Afi-phyllin;
Neophyl;
Dilor;
Astmamasit;
Circair;
Diphylline;
Iphyllin;
Isophyllen;
Tesfen

In Other Databases

ChemIDPlus 000479185
DrugBank APRD00769
PubChem 3182
ChEMBL CHEMBL1752
KEGG C07819; D00691
ChemSpider 3070
Wikipedia Dyphylline
ChEBI CHEBI:4728