Input interpretation
oxtriphylline
Chemical names and formulas
formula | C_12H_21N_5O_3 name | oxtriphylline IUPAC name | 1, 3-dimethyl-2-oxopurin-6-olate; 2-hydroxyethyl-trimethylazanium mass fractions | C (carbon) 50.9% | H (hydrogen) 7.47% | N (nitrogen) 24.7% | O (oxygen) 16.9%
Structure diagram
Structure diagram
Basic properties
molar mass | 283.33 g/mol phase | solid (at STP)
Units
Hydrophobicity and permeability properties
predicted LogP hydrophobicity | -0.47 predicted LogS | -2.8
Drug interactions
acyclovir | adenosine | amobarbital | allylpropymal | atracurium besilate | butabarbital | butalbital | butethal | carbamazepine | carteolol | cimetidine | 3-quinolinecarboxylic acid | clarithromycin | dihydroquinidine barbiturate | disulfiram | doxacurium | enoxacin | erythromycin | ethinyl estradiol | ethotoin | ... (total: 74)
Basic drug properties
approval status | approved | small molecule drug categories | bronchodilator agent dosage forms | oral: elixir | oral: syrup | oral: tablet
brand names | choledyl | theocolin
Chemical identifiers
(C)CCO.CN1C(=O)N(C)C2=NC=NC2=C1[O-] InChI identifier | InChI=1/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2, 3)4-5-7/h3, 12H, 1-2H3;7H, 4-5H2, 1-3H3/q;+1/p-1/fC7H7N4O2.C5H14NO/h12h;/q-1;m InChI key | SOELXOBIIIBLRJ-PGYFHCKPCE](../image_source/b1d2dc60b1495720cee8dd244df6c4ae.png)
CAS number | 4499-40-5 PubChem CID number | 656652 PubChem SID number | 7849079 SMILES identifier | C[N+](C)(C)CCO.CN1C(=O)N(C)C2=NC=NC2=C1[O-] InChI identifier | InChI=1/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2, 3)4-5-7/h3, 12H, 1-2H3;7H, 4-5H2, 1-3H3/q;+1/p-1/fC7H7N4O2.C5H14NO/h12h;/q-1;m InChI key | SOELXOBIIIBLRJ-PGYFHCKPCE