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1-azabicyclo[2.2.2]octan-3-yl-(4-chlorophenyl)-phenylmethanol

更新时间:2025-08-26 12:10:48

1-azabicyclo[2.2.2]octan-3-yl-(4-chlorophenyl)-phenylmethanol结构式
1-azabicyclo[2.2.2]octan-3-yl-(4-chlorophenyl)-phenylmethanol结构式
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常用名 1-azabicyclo[2.2.2]octan-3-yl-(4-chlorophenyl)-phenylmethanol 英文名 1-azabicyclo[2.2.2]octan-3-yl-(4-chlorophenyl)-phenylmethanol
CAS号 57734-87-9 分子量 327.84800
密度 1.26g/cm3 沸点 455.4ºC at 760 mmHg
分子式 C20H22ClNO 熔点 N/A
MSDS N/A 闪点 229.2ºC

 名称

英文名 1-azabicyclo[2.2.2]octan-3-yl-(4-chlorophenyl)-phenylmethanol

 物理化学性质

密度 1.26g/cm3
沸点 455.4ºC at 760 mmHg
分子式 C20H22ClNO
分子量 327.84800
闪点 229.2ºC
精确质量 327.13900
PSA 23.47000
LogP 3.85560
InChIKey UNTIDFUYZYGXBI-UHFFFAOYSA-N
SMILES OC(c1ccccc1)(c1ccc(Cl)cc1)C1CN2CCC1CC2
折射率 1.648

 安全信息

海关编码 2933990090

 海关

海关编码 2933990090
中文概述 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 靶点实验

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External Id:JHICC_RGS_Act_HTS
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来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
实验名称:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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来源:Broad Institute
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External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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来源:The Scripps Research Institute Molecular Screening Center
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External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
实验名称:Absorbance-based primary biochemical high throughput screening assay to identify acti...
来源:The Scripps Research Institute Molecular Screening Center
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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