Zileuton
PubChem CID: 60490
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| Compound Synonyms | ZILEUTON, 111406-87-2, Zyflo, Leutrol, 1-(1-(Benzo[b]thiophen-2-yl)ethyl)-1-hydroxyurea, Zyflo CR, Zileutonum, Zileutonum [INN-Latin], 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea, A-64077, Abbott 64077, N-(1-Benzo(b)thien-2-ylethyl)-N-hydroxyurea, ABBOTT-64077, A 64077, Zyflo (TN), Urea, N-(1-benzo[b]thien-2-ylethyl)-N-hydroxy-, UNII-V1L22WVE2S, V1L22WVE2S, MFCD00866097, NSC-730712, NSC-759277, DTXSID9023752, CHEBI:10112, (+-)-1-(1-Benzo(b)thien-2-ylethyl)-1-hydroxyurea, CHEMBL93, 1-[1-(1-benzothien-2-yl)ethyl]-1-hydroxyurea, N-[1-(benzo[b]thiophen-2-yl)ethyl]-N-hydroxyurea, (+/-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea, DTXCID003752, Zileuton [USAN:USP:INN:BAN], (+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea, NSC730712, N-(1-BENZO(B)THIEN-2-YL-ETHYL)-N-HYDROXYUREA, NSC 730712, NSC 759277, NCGC00159453-02, Zileutonum (INN-Latin), ZILEUTON (MART.), ZILEUTON [MART.], ZILEUTON (USP-RS), ZILEUTON [USP-RS], Urea, N-(1-benzo(b)thien-2-ylethyl)-N-hydroxy-, (+/-)-1-(1-benzo(b)thien-2-ylethyl)-1-hydroxyurea, ZILEUTON (USP MONOGRAPH), ZILEUTON [USP MONOGRAPH], Zileuton (USAN:USP:INN:BAN), Ziluton, Zyflo Filmtab, UREA, N-(1-BENZO(B)THIEN-2-YLETHYL)-N-HYDROXY-, (+/-)-, SMR000466377, CAS-111406-87-2, 1-(1-(1-benzothien-2-yl)ethyl)-1-hydroxyurea, Zileuton (USP/INN), SR-01000759349, N-(1-(benzo(b)thiophen-2-yl)ethyl)-N-hydroxyurea, CTI-02, ( inverted exclamation markA)-1(1-Benzo[b]thien-2-ylethyl)-1-hydroxyure, ABT-077, Zileuton (Standard), starbld0016861, ZILEUTON [USAN], ZILEUTON [INN], ZILEUTON [MI], ZILEUTON [VANDF], Prestwick0_001090, ZILEUTON [WHO-DD], SCHEMBL4209, Zileuton- Bio-X trade mark, MLS000759510, MLS001424079, MLS006011971, ZILEUTON [ORANGE BOOK], GTPL5297, Zileuton, >=98% (HPLC), SCHEMBL18251470, Urea, N-(1-benzo(b)thien-2-ylethyl)-N-hydroxy-, (+-)-, HMS2051M20, HMS2089J12, HMS2093H06, HMS2235O04, HMS3369I17, HMS3393M20, HMS3654J08, HMS3714E07, HMS3872F13, Pharmakon1600-01505906, BCP16199, Tox21_111680, Tox21_301148, BBL029070, BDBM50000541, HY-14164R, NSC759277, s1443, STL373010, AKOS000280127, AKOS016340558, Tox21_111680_1, CCG-100901, CCG-213571, CS-1563, DB00744, FZ28760, KS-1195, NC00151, SB19083, MRF-0000030, NCGC00159453-03, NCGC00159453-04, NCGC00159453-05, NCGC00159453-06, NCGC00255046-01, AC-13198, AC-31490, BZ164573, HY-14164, SY102131, SBI-0206869.P001, DB-015071, DB-335363, 1-[1-(2-Benzothienyl)ethyl]-1-hydroxyurea, NS00023571, SW197531-3, D00414, EN300-123022, N-(1-benzo[b]thien-2-ylethyl)-N-hydroxy-urea, ()-1(1-Benzo[b]thien-2-ylethyl)-1-hydroxyure, AB00639921-06, AB00639921-08, AB00639921-09, AB00639921_10, AB00639921_11, Q202998, SR-01000759349-4, SR-01000759349-5, SR-01000759349-6, Zileuton, commercially available as 600 mg tablets, (+-)-N-Hydroxy-N-(1-benzo(b)thien-2-ylethyl)-urea, (+/-)-N-hydroxy-N-(1-benzo[b]thien-2-ylethyl)urea, BRD-A56359832-001-04-6, BRD-A56359832-001-11-1, BRD-A56359832-001-12-9, BRD-A56359832-001-13-7, Leutrol, N-(1-Benzo(b)thien-2-ylethyl)-N-hydroxyurea, N-HYDROXY-N-{1-(BENZO[B]THIEN-2-YL)ETHYL}UREA, Z1546610483, Zileuton, United States Pharmacopeia (USP) Reference Standard, N-(1-Benzo[b]thien-2-yl-ethyl)-N-hydroxyurea, A-64077, Abbott 64077 |
|---|---|
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea |
| Prediction Hob | 1.0 |
| Target Id | NPT570, NPT1119, NPT3068, NPT2520, NPT208, NPT3896, NPT862, NPT792, NPT956 |
| Xlogp | 1.6 |
| Molecular Formula | C11H12N2O2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | MWLSOWXNZPKENC-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.064 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.805 |
| Compound Name | Zileuton |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.062 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.062 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 236.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0037852000000003 |
| Inchi | InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14) |
| Smiles | CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Paulownia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients