Etofylline
PubChem CID: 1892
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | ETOFYLLINE, 519-37-9, 7-(2-Hydroxyethyl)theophylline, Aethophyllinum, Frekaphyllin, Oxyphylline, Soluphylline, Cordalin, Phyllocormin N, Ascorphylline, Dilaphyllin, Oxytheonyl, Oxyethyltheophylline, Sklerodormal, Bio-phylline, Corophyllin-N, Oxphylline (amido), 1,3-Dimethyl-7-(2-hydroxyethyl)xanthine, Oxyetophyllinum, Etofilina, Oxyphyllin, 7-Theophyllineethanol, 7-(Hydroxyethyl)theophylline, Hydroxyethyl theophylline, Oxyaethyltheophyllin, 7-hydroxyethyltheophylline, Theophylline, 7-(2-hydroxyethyl)-, Etofillina [DCIT], Etofyllinum, Etofillina, Oxphylline, 7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, Hydroxyethyltheophylline, 7-(2-Hydroxyethyl)-1,3-dimethylxanthine, Etofylline [INN:BAN], Etofilina [INN-Spanish], Etofyllinum [INN-Latin], Oxyaethyltheophyllin [German], NSC 113373, BRN 0251760, Doxophylline metabolite m4, 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione, beta-hydroxyethyltheophylline, Oxyphyllin (TN), EINECS 208-269-8, BETA-HYDROXYETHYL THEOPHYLLINE, MFCD00055055, Etofylline (INN), NSC-113373, UNII-L164909TBI, DTXSID5023031, 3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione, 7-(2'-Hydroxyethyl)theophylline, KT-200G, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-, L164909TBI, ETOFYLLINE [MI], ETOFYLLINE [INN], 7-(.beta.-Hydroxyethyl)theophylline, 7-(2-Hydroxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, CHEMBL699, ETOFYLLINE [MART.], ETOFYLLINE [WHO-DD], MLS000115542, DTXCID603031, ETOFYLLINE [EP IMPURITY], 5-26-14-00038 (Beilstein Handbook Reference), 7-(2-hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, etophylline, NCGC00016479-06, CAS-519-37-9, SMR000058179, Etofilina (INN-Spanish), Etofyllinum (INN-Latin), THEOPHYLLINE IMPURITY F [EP IMPURITY], DIPROPHYLLINE IMPURITY C [EP IMPURITY], ETOFYLLINE (MART.), ETOFYLLINE (EP IMPURITY), THEOPHYLLINE MONOHYDRATE IMPURITY F [EP IMPURITY], etophyllin, THEOPHYLLINE IMPURITY F (EP IMPURITY), DIPROPHYLLINE IMPURITY C (EP IMPURITY), THEOPHYLLINE MONOHYDRATE IMPURITY F (EP IMPURITY), Prestwick_210, Etofylline (Standard), Spectrum_000319, Opera_ID_628, B-hydroxyethyltheophylline, Prestwick0_000172, Prestwick1_000172, Prestwick2_000172, Prestwick3_000172, Spectrum2_001819, Spectrum3_001711, Spectrum4_000179, Spectrum5_001332, ChemDiv2_005108, Cambridge id 6649214, BSPBio_000063, BSPBio_003322, KBioGR_000697, KBioSS_000799, MLS000069731, BIDD:GT0586, DivK1c_000052, SCHEMBL149271, SPECTRUM2300357, SPBio_001837, SPBio_001984, BPBio1_000071, BCBcMAP01_000126, CHEBI:94764, HMS500C14, HY-B1209R, KBio1_000052, KBio2_000799, KBio2_003367, KBio2_005935, KBio3_002542, C04AD04, NINDS_000052, HMS1383I04, HMS1568D05, HMS2095D05, HMS2235K09, HMS3370P21, HMS3712D05, Etofylline 1.0 mg/ml in Methanol, HY-B1209, Tox21_110447, BDBM50025585, CCG-39731, NSC113373, s5029, STK970528, 7-( beta -Hydroxyethyl)-theophylline, AKOS000121416, Tox21_110447_1, CS-4837, FE23197, GS-6113, IDI1_000052, IDI1_003823, SMP1_000162, 7-(beta-Hydroxyethyl)theophylline, solid, NCGC00016479-01, NCGC00016479-02, NCGC00016479-03, NCGC00016479-04, NCGC00016479-05, NCGC00016479-07, NCGC00016479-08, NCGC00016479-09, NCGC00016479-11, NCGC00022341-03, NCGC00022341-04, NCGC00178140-01, NCGC00178140-02, DA-49954, SY057870, AB00052458, NS00008663, WLN: T56 BN DN FNVNVJ B2Q F1 H1, EN300-21180, D07933, H10495, SR-01000000166, Q3733837, SR-01000000166-3, BRD-K83064458-001-05-7, BRD-K83064458-001-23-0, Z104493598, Etofylline, European Pharmacopoeia (EP) Reference Standard, 1H-Purine-2, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-, 7-(2-Hydroxy-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-(9CI), 3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione (9CI), 7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione #, 208-269-8, 7-(2-Hydroxyethyl)theophylline, 3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione, 7-(2-Hydroxyethyl)-1,3-dimethylxanthi ne |
|---|---|
| Topological Polar Surface Area | 78.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P25099, P46616, P29275, P02545, P00811, P83916, Q9UNA4, P49798, O94782, O75496, Q9Y6L6, Q9NPD5, P27695, n.a., P0DTD1 |
| Iupac Name | 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT4059, NPT483 |
| Xlogp | -1.2 |
| Molecular Formula | C9H12N4O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NWPRCRWQMGIBOT-UHFFFAOYSA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | 0.162 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.43 |
| Compound Name | Etofylline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 224.091 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.091 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 224.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9050139999999998 |
| Inchi | InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3 |
| Smiles | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all