Win 35428

HCID 105056

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データを補完しています。通常は 1 分以内に完了します

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基本情報

CAS: 50370-56-4
標準SMILES: COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C
InChIKey: QUSLQENMLDRCTO-YJNKXOJESA-N
分子式: C16H20FNO2
平均分子量: 277.33 g/mol

概要

WIN-35428 is an organic molecular entity. It has a role as a dopamine uptake inhibitor.

名称と識別子

優先名称: Win 35428
IUPAC: methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

名称と別名

50370-56-4beta-CftWin 354282-CmftWIN354282-CFTWIN 35,428Win-35428methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate2-Carbomethoxy-3-(4-fluorophenyl)tropane8ZT6KJ947T2beta-carbomethoxy-3beta-(4-fluorophenyl)tropane

名称をさらに表示

(1R-(exo,exo))-3-(4-Fluorophenyl)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid, methyl ester8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-(-)-WIN 35,428DTXSID30198424CFT cpdMETHYL (1R,2S,3S,5S)-3-(4-FLUOROPHENYL)-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLATEWin-35,4288-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-

データベース識別子

CAS: 50370-56-4
PubChem CID: 105056
ChEMBL: CHEMBL1944829
ChEBI: CHEBI:232539
UNII: 8ZT6KJ947T
EC Number: 637-133-4
Nikkaji: J23.648I、J409.121C

物性

構造計算による物性補完中

XLogP: 2.7
極性表面積: 29.5 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 20
形式電荷: 0
複雑度: 367

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P203, P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P320, P321, P330, P333+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 2 (100%)

化学と産業

薬理情報

MeSH Pharmacological ClassificationDrugs that block the transport of DOPAMINE into axon terminals or into storage vesicles within terminals. Most of the ADRENERGIC UPTAKE INHIBITORS also inhibit dopamine uptake.