Oxtriphylline
Properties
- Molecular formula
- C12H21N5O3
- Molar mass
- 283.33 g/mol
- Exact mass
- 283.1644 Da
- Melting point
- 176–178 °C
- logP
- -1.73Crippen estimate
- Polar surface area
- 91.2 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 2
Identifiers
CAS number
4499-40-5SMILES
C[N+](C)(C)CCO.Cn1c(=O)c2nc[n-]c2n(C)c1=OInChIKey
RLANKEDHRWMNRO-UHFFFAOYSA-MInChI
InChI=1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3H,1-2H3,(H,8,9,12);7H,4-5H2,1-3H3/q;+1/p-1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
23 names · show all
- Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)
- Choline, compd. with theophylline (1:1)
- Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)
- Choline, compd. with theophylline
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, ion(1-), 2-hydroxy-N,N,N-trimethylethanaminium
- Theophylline, ion(1-) choline (1:1)
- Theophylline, compd. with choline
- Choline theophyllinate
- Choledyl
- Cholegyl
- Cholinophylline
- Filoral
- Oxtrimethylline
- Soliphylline
- Teokolin
- Theophylline cholinate
- Theoxylline
- Teovent
- Zy 15061
- Sabidal
- Choledyl SA
- Teofilcolina
- Oxytrimethylline
Work with Oxtriphylline
Similar compounds
Etofylline519-37-942 % similar
Theophylline58-55-939 % similar
1,3-Dimethylxanthine monohydrate5967-84-037 % similar
Aminophylline317-34-036 % similar
Theacrine2309-49-134 % similar
Caffeine58-08-234 % similar
Diprophylline479-18-534 % similar
Proxyphylline603-00-933 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds