53597-27-6

• 常用中文名：芬度柳
• 常用英文名：Fendosal
• CAS号：53597-27-6
• 分子式：C₂₅H₁₉NO₃
• 分子量：381.42300
• 发布时间：2018-03-20 08:00:00
• 更新时间：2024-01-11 14:12:11

名称

• 中文名: 芬度柳
• 英文名: 5-(4,5-Dihydro-2-phenyl-3H-benz[e]indol-3-yl)salicylic acid
• 中文别名: 5-(4,5-二氢-2-苯基-3H-苯并[e]吲哚-3-基)水杨酸
• 英文别名: MFCD00866078; 2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid

物化性质

• 密度: 1.29 g/cm3
• 沸点: 651.8ºC at 760 mmHg
• 熔点: 223-225ºC
• 分子式: C₂₅H₁₉NO₃
• 分子量: 381.42300
• 闪点: 348ºC
• 精确质量: 381.13600
• PSA: 62.46000
• LogP: 5.31370
• 折射率: 1.68
• 计算化学:

  1.疏水参数计算参考值（XlogP）:5.7

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:3

  5.互变异构体数量:4

  6.拓扑分子极性表面积:62.5

  7.重原子数量:29

  8.表面电荷:0

  9.复杂度:589

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : DG8576200 CHEMICAL NAME : Benzoic acid, 5-(4,5-dihydro-2-phenyl-3H-benz(e)indol-3-yl)-2-hydro xy- CAS REGISTRY NUMBER : 53597-27-6 BEILSTEIN REFERENCE NO. : 1665211 LAST UPDATED : 199703 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C25-H19-N-O3 MOLECULAR WEIGHT : 381.45 WISWESSER LINE NOTATION : T B566 EN&T&J DR& ER DQ CVQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 450 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Nutritional and Gross Metabolic - weight loss or decreased weight gain REFERENCE : AGACBH Agents and Actions, A Swiss Journal of Pharmacology. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1969/70- Volume(issue)/page/year: 8,209,1978 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 740 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Nutritional and Gross Metabolic - weight loss or decreased weight gain REFERENCE : AGACBH Agents and Actions, A Swiss Journal of Pharmacology. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1969/70- Volume(issue)/page/year: 8,209,1978 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 510 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Nutritional and Gross Metabolic - weight loss or decreased weight gain REFERENCE : AGACBH Agents and Actions, A Swiss Journal of Pharmacology. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1969/70- Volume(issue)/page/year: 8,209,1978 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 560 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Nutritional and Gross Metabolic - weight loss or decreased weight gain REFERENCE : AGACBH Agents and Actions, A Swiss Journal of Pharmacology. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1969/70- Volume(issue)/page/year: 8,209,1978

安全

• 海关编码: 2933990090

合成路线

57859-83-3 89-57-6 ~50% 53597-27-6

文献：MYRIAD GENETICS, INC. Patent: WO2007/115306 A2, 2007 ; Location in patent: Page/Page column 136-137 ;

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%