Bamifylline

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Systematic / IUPAC Name: 8-Benzyl-7-{2-[ethyl(2-hydroxyethyl)amino]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

ID: Reference1897

Other Names: Bamifyllin;
8-Benzyl-7-2-[ethyl(2-hydroxyethyl)amino]ethyltheophylline;
Bamiphylline;
Benzetamophylline;
7-{2-[Ethyl(2-hydroxyethyl)amino]ethyl}-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione ; more

Formula: C20H27N5O3

Class: Therapeutics/Prescription Drugs

Spectral Data

Bamifylline 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 1
No. of Spectra 39
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/16/2015 10:06:43 AM
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Identificators

InChI InChI=1S/C20H27N5O3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2/h5-9,26H,4,10-14H2,1-3H3
InChI Key VVUYEFBRTFASAH-UHFFFAOYSA-N
Canonical SMILES CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO
CAS 2016639
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Other Names Bamifyllin;
8-Benzyl-7-2-[ethyl(2-hydroxyethyl)amino]ethyltheophylline;
Bamiphylline;
Benzetamophylline;
7-{2-[Ethyl(2-hydroxyethyl)amino]ethyl}-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione;
8-Benzyl-7-{2-[ethyl-(2-hydroxyethyl)amino]ethyl}theophylline;
8-Benzyl-7-{2-[ethyl(2-hydroxyethyl)amino]ethyl}-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione;
7-{2-[Ethyl(2-hydroxyethyl)amino]ethyl}-1,3-dimethyl-8-(phenylmethyl)-3,7-dihydro-1H-purine-2,6-dione

In Other Databases

Wikipedia Bamifylline
ChemSpider 15401
ChemIDPlus 002016639
PubChem 16229
ChEMBL CHEMBL2110760
KEGG D07491