- 中文别名:芬布酯
- 中文释义:芬布酯
- 英文别名:2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate;
Fenbutrazatum [INN-Latin];
Phenbutrazate;
Fenbutrazatum;
Fenbutrazato [INN-Spanish];
2-phenyl-butyric acid-[2-(3-methyl-2-phenyl-morpholino)-ethyl ester];
EINECS 224-480-8;
Phenbutrazatum;
Fenbutrazate;
2-Phenyl-buttersaeure-[2-(3-methyl-2-phenyl-morpholino)-aethylester];
Nethanol;
2-phenyl-butyric acid 2-(3-methyl-2-phenyl-morpholin-4-yl)-ethyl ester - cas No.:4378-36-3
- 分子式:
C23H29NO3
- 分子量:367.49
- 精确分子量:367.21500
- PSA:38.77000
- InChI:The Key: BAQKJENAVQLANS-UHFFFAOYSA-N
- 分子结构式:
物化性质
- 密度:
- 1.076 g/cm3
- 沸点:
- 493.4ºC at 760mmHg
- 闪点:
- 252.2ºC
- 折射率:
- 1.538
安全信息
- 密度:
- 1.076 g/cm3
- 沸点:
- 493.4ºC at 760mmHg
- 闪点:
- 252.2ºC
- 折射率:
- 1.538
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- ET5979000
- CHEMICAL NAME :
- Butyric acid, 2-phenyl-, 2-(3-methyl-2-phenylmorpholino)ethyl ester
- CAS REGISTRY NUMBER :
- 4378-36-3
- BEILSTEIN REFERENCE NO. :
- 0346691
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C23-H29-N-O3
- MOLECULAR WEIGHT :
- 367.53
- WISWESSER LINE NOTATION :
- T6N DOTJ A2OVY2&R& BR& C1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 7143 ug/kg
- TOXIC EFFECTS :
- Autonomic Nervous System - sympathomimetic Vascular - BP elevation not characterized in autonomic section
- REFERENCE :
- THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 34,205,1979
海关数据
中国海关编码:2934999090
- 概述:
- 2934999090. 其他杂环化合物. 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
- 摘要/Summary:
- 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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):4.3
2.氢键供体数量:0
3.氢键受体数量:4
4.可旋转化学键数量:8
5.互变异构体数量:无
6.拓扑分子极性表面积:38.8
7.重原子数量:27
8.表面电荷:0
9.复杂度:443
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:3
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