芬度柳; 5-(4,5-二氢-2-苯基-3H-苯并[e]吲哚-3-基)水杨酸
- 中文名称：
- 芬度柳; 5-(4,5-二氢-2-苯基-3H-苯并[e]吲哚-3-基)水杨酸
- 中文别名：
- 芬度柳;
5-(4,5-二氢-2-苯基-3H-苯并[e]吲哚-3-基)水杨酸
- 英文名称：
- Benzoic acid,5-(4,5-dihydro-2-phenyl-3H-benz[e]indol-3-yl)-2-hydroxy-
- 英文别名：
- 5-(4,5-Dihydro-2-phenyl-3H-benz[e]indol-3-yl)salicylic acid;
2-hydroxy-5-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid
- CAS No.：
- 53597-27-6
- 分 子 式：
-
C25H19NO3
- 分 子 量：
- 381.43
- 精确分子量：
- 381.13600
- PSA：
- 62.46000
- InChI：
- The Key: HAWWPSYXSLJRBO-UHFFFAOYSA-N3
- 分子结构式：
-
- SDS：
- 查看
芬度柳; 5-(4,5-二氢-2-苯基-3H-苯并[e]吲哚-3-基)水杨酸 物化性质
- 密度：
- 1.29 g/cm3
- 熔点：
- 223-225ºC
- 沸点：
- 651.8ºC at 760 mmHg
- 闪点：
- 348ºC
- 折射率：
- 1.68
芬度柳; 5-(4,5-二氢-2-苯基-3H-苯并[e]吲哚-3-基)水杨酸 安全信息
芬度柳; 5-(4,5-二氢-2-苯基-3H-苯并[e]吲哚-3-基)水杨酸 毒理性
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
芬度柳; 5-(4,5-二氢-2-苯基-3H-苯并[e]吲哚-3-基)水杨酸 海关数据
中国海关编码：2933990090
- 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
- 摘要/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%
芬度柳; 5-(4,5-二氢-2-苯基-3H-苯并[e]吲哚-3-基)水杨酸 分子结构与计算化学数据
计算化学数据
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
芬度柳; 5-(4,5-二氢-2-苯基-3H-苯并[e]吲哚-3-基)水杨酸 上游产品
