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Adiphenine hydrochloride | 50-42-0
50-42-0

Product Name:Adiphenine hydrochloride

CAS No:50-42-0
MF:C20H26ClNO2
MW:347.8789
MDL:MFCD00050508
CID:33473
PubChem ID:160871422
Introduction
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。
Names and Identifiers
  • 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
  • ADIPHENINE HYDROCHLORIDE (MART.)
  • LKPINBXAWIMZCG-UHFFFAOYSA-N
  • DA-50237
  • A2498
  • 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
Chemical and Physical Properties

Computed Properties

  • 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): none
  • 互变异构体数量: none
  • 表面电荷: 0
  • 拓扑分子极性表面积: 29.5

Experimental Properties

  • 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)
Security Information
  • Symbol: GHS07 GHS07
  • RTECS号:AH2625000
  • WGK Germany:3
  • 安全术语:S36
  • 安全说明:S36
  • 风险术语:R20/21/22
  • 危險品標誌: Xn Xn
  • 危险品运输编号:NONH for all modes of transport
  • 危害声明:H302+H312+H332
  • 警示性声明:P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
  • 提示语:警告
  • 储存条件:Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
  • 危险类别码:20/21/22
  • 信号词:Warning
  • 毒性:LD50 i.p. in mice: 0.24 g/kg (Burtner, Cusic)
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