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盐酸阿地芬宁 | 50-42-0

盐酸阿地芬宁
Adiphenine hydrochloride
50-42-0
C20H26ClNO2
347.8789
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:盐酸阿地芬宁结构式
160871422
盐酸阿地芬宁价格
简介
Adiphenine hydrochloride 是一种非竞争性的烟碱乙酰胆碱受体 (nAChR) 抑制剂,对 α1,α3β4,α4β2 和 α4β4 的 IC50 值分别为 1.9,1.8,3.7 和 6.3 µM。Adiphenine hydrochloride 具有抗惊厥作用。
名称和标识符
MDL MFCD00050508
InChIKey LKPINBXAWIMZCG-UHFFFAOYSA-N
Inchi 1S/C20H25NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
SMILES Cl[H].O(C(C([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O)C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]
BRN 3919592
别名信息
- 中文别名 -
  • 盐酸阿地芬宁
  • 盐酸阿地芬尼
  • 二苯乙酸 2-(二乙基氨基)乙基酯盐酸盐
  • 阿地芬宁盐酸盐
  • 2-氨基-4-三氟甲基吡啶
  • Adiphenine Hydrochloride 阿地芬宁盐酸盐
  • Adiphenine盐酸
  • Fmoc-(2S,6S,9S)-6-氨基-2-羧甲基-3,8-二氮杂双环[4,3,0]壬烷-1,4-二酮
  • 盐酸阿的芬宁
  • 盐酸阿地芬尼 标准品
  • 盐酸二苯胺乙酯
  • 2-(二乙氨基)二苯基乙酸乙酯盐酸盐
  • 2-(二乙氨基)二苯乙酸乙酯盐酸盐
  • 解痉素
  • 解痉素盐酸盐
  • 二苯乙酸 2-(二乙胺基)乙酯
  • 二苯乙酸2-(二乙氨基)乙酯盐酸盐
- 英文别名 -
  • Adiphenine hydrochloride
  • Adiphenine (hydrochloride)
  • Adiphenine HCl
  • 2-(diethylamino)ethyl 2,2-diphenylacetate,hydrochloride
  • 2-(Diethylamino)ethyl Diphenylacetate Hydrochloride
  • Trasentin Hydrochloride
  • Diphenylacetic Acid 2-(Diethylamino)ethyl Ester Hydrochloride
  • Patrovina
  • Sentiv
  • Spasnil
  • Adiphenine chloride
  • Difacil hydrochloride
  • Adiphen hydrochloride
  • Vegantin
  • Diphacil hydrochloride
  • Adifenin hydrochloride
  • Trasentine hydrochloride
  • Transentine hydrochloride
  • Adipheninium chloratum
  • Spasmolytin hydrochloride
  • Adiphenine hydrochloride [USAN]
  • 2-(Diethylamino)ethyl diphenylacetate hydrochlo
  • AC-013
  • CAS-50-42-0
  • Diphenylacetate du diethylamino-ethanol chlorhydrate
  • NSC758234
  • D02772
  • adipheninhydrochlorid-
  • Trasentine, hydrochloride
  • HMS1568O11
  • Tox21_111379
  • DTXSID0045880
  • 2-(diethylamino)ethyl 2,2-diphenylacetate
  • hydron
  • chloride
  • BCP22622
  • 2,2-diphenylacetic acid 2-(diethylamino)ethyl ester hydrochloride
  • AS-15686
  • 42B4PDY0AV
  • Diphenylacetate du diethylamino-ethanol chlorhydrate [French]
  • 2-(diethylamino)ethyl 2,2-diphenylacetate
  • hydrochloride
  • NCGC00094995-02
  • SPECTRUM1503073
  • NSC 129224
  • SR-01000000075-4
  • 2-Diethylaminoethyl diphenylacetate hydrochloride
  • Benzeneacetic acid, a-phenyl-, 2-(diethylamino)ethyl ester,hydrochloride
  • MFCD00050508
  • HMS1922C11
  • MLS001076478
  • 50-42-0
  • Diphenylacetic acid 2-(diethylamino)ethyl ester hydrochloride
  • Prestwick_7
  • HY-B0379A
  • ADIPHENINE HYDROCHLORIDE [MART.]
  • SW196325-3
  • D88523
  • Tox21_111379_1
  • EINECS 200-036-9
  • ADIPHENINE HYDROCHLORIDE [MI]
  • SR-01000000075
  • ADIPHENINE HYDROCHLORIDE [WHO-DD]
  • WLN: 2N2&2OVYR&R &GH
  • A828115
  • FT-0657379
  • Adiphenine hydrochloride, analytical standard
  • Adiphenine HCl
  • NSC 129224
  • NSC-129224
  • NSC129224
  • s2082
  • MLS002222150
  • NSC-129224
  • SCHEMBL33478
  • Pharmakon1600-01503073
  • Diphenylacetyldiethylaminoethyl hydrochloride
  • Benzeneacetic acid, .alpha.-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
  • DTXCID8025880
  • REGID_for_CID_5763
  • CHEMBL555654
  • NCGC00094995-03
  • Q27258524
  • MLS000028404
  • Benzeneacetic acid, alpha-phenyl-2-(diethylamino)ethyl ester hydrochloride
  • ACETIC ACID, DIPHENYL-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE
  • NSC129224
  • ADIPHENINE HCL
  • UNII-42B4PDY0AV
  • Adiphenine Hydrochloride, 98%
  • SMR000058354
  • Ethanol, 2-(diethylamino)-, 2,2-diphenylacetate, hydrochloride
  • 2-(diethylamino)ethyl 2,2-diphenylacetate hydrochloride
  • Benzeneacetic acid, .alpha.-phenyl-2-(diethylamino)ethyl ester hydrochloride
  • CCG-39173
  • Adiphenine hydrochloride (USAN)
  • Opera_ID_604
  • Trasentin hydrochloride
  • CS-O-00923
  • NSC-758234
  • Benzeneacetic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
  • Diphenylacetic acid 2-(diethylamino)ethyl ester
  • 2-(diethylamino)ethyl 2,2-diphenylethanoate hydrochloride
  • NCGC00094995-01
  • AKOS015900392
  • Ethanol, 2,2-diphenylacetate, hydrochloride
  • 2-(Diethylamino)ethyl diphenylacetate hydrochloride
  • NCGC00016221-06
  • NS00078962
物化性质
实验特性
LogP 4.50550
PSA 29.54000
Merck 161
折射率 1.5400 (estimate)
沸点 423°C at 760 mmHg
熔点 71-74?°C(lit.)
蒸气压 2.31E-07mmHg at 25°C
闪点 133.2°C
颜色与性状 白色或近乎于白色粉末
密度 1.0555 (rough estimate)
计算特性
精确分子量 347.16500
氢键供体数量 1
氢键受体数量 3
可旋转化学键数量 9
同位素质量 347.165
重原子数量 24
复杂度 311
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 2
疏水参数计算参考值(XlogP)
互变异构体数量
表面电荷 0
拓扑分子极性表面积 29.5
国际标准相关数据
EINECS 200-036-9
相关文献
专业数据库参考
PubChemId 160871422
参考资料
Reaxys RN 3919592
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