Win 35428

HCID 105056CAS 50370-56-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C
InChIKey: QUSLQENMLDRCTO-YJNKXOJESA-N
분자식: C16H20FNO2
평균 분자량: 277.33 g/mol

개요

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

이름 및 식별자

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

이름 및 동의어

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

이름 더 보기

(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)-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 367

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (100%)

화학 및 산업

약리 정보

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.