Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D03QMR
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| Former ID |
DNC003793
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| Drug Name |
WB-4101
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| Synonyms |
WB-4101; WB4101; WB 4101; (2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane; (2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzodioxan; 613-67-2; CHEMBL25554; CHEBI:64098; N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzodioxin-2-methanamine; 1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-; N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine; 1,4-benzodioxin-2-methanamine, n-[2-(2,6-dimethoxyphenoxy)ethyl]-2,3-dihydro-; MLS000859914
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| Drug Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C19H23NO5
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| Canonical SMILES |
COC1=C(C(=CC=C1)OC)OCCNCC2COC3=CC=CC=C3O2
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| InChI |
1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3
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| InChIKey |
GYSZUJHYXCZAKI-UHFFFAOYSA-N
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| CAS Number |
CAS 613-67-2
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| PubChem Compound ID | ||||
| PubChem Substance ID |
5455582, 8153486, 11364724, 11367286, 11369848, 11371810, 11374784, 11378012, 11485246, 11489391, 11490601, 11493027, 11495629, 12012584, 14778240, 26751986, 29224722, 47589181, 47810969, 48185182, 50070270, 50070940, 50104662, 57322893, 80424907, 85209354, 85789607, 90341701, 92729686, 103094355, 103155021, 103194723, 103921864, 104309956, 117603566, 124749631, 124879832, 124879833, 126408198, 128025709, 134340998, 135061510, 135208365, 135610556, 135651323, 179039392, 227079672, 252647768
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| ChEBI ID |
CHEBI:64098
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | Synthesis of (R,S)-trans-8-hydroxy-2-[N-n-propyl-N-(3'-iodo-2'-propenyl)amino]tetral in (trans-8-OH-PIPAT): a new 5-HT1A receptor ligand. J Med Chem. 1993 Oct 15;36(21):3161-5. | |||
| REF 2 | Alpha- and beta-adrenoceptors: from the gene to the clinic. 1. Molecular biology and adrenoceptor subclassification. J Med Chem. 1995 Sep 1;38(18):3415-44. | |||
| REF 3 | alpha 2 adrenoceptors: classification, localization, mechanisms, and targets for drugs. J Med Chem. 1982 Dec;25(12):1389-401. | |||
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