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托莰非 基本信息
- 中文名称：
- 托莰非
- 中文别名：
- 托莰非
- 英文名称：
- tocamphyl
- 英文别名：
- 2-(2-hydroxyethylamino)ethanol,2,2,3-trimethyl-3-[1-(4-methylphenyl)ethoxycarbonyl]cyclopentane-1-carboxylic acid;
Licarbin;
Syncuma;
Lymethol;
Hepasynthyl;
Synthobilin;
tocamphyl;
Biliphorin;
Hepatoxane;
Tocanfil;
Biliphorine
- CAS No.：
- 5634-42-4
- 分 子 式：
-
C19H26O4.C4H11NO2
- 分 子 量：
- 423.543
- 精确分子量：
- 423.26200
- PSA：
- 116.09000
- EINECS：
- 227-081-7
- InChI：
- The Key: WSEQDEFUEFCRLT-UHFFFAOYSA-N
- 危险品标志：
-
- 风险术语：
-
- 安全术语：
- 分子结构式：
-
- SDS：
- 查看
托莰非 物化性质
- 沸点：
- 427.5ºC at 760mmHg
- 闪点：
- 144.9ºC
托莰非 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EX1360000
- CAS REGISTRY NUMBER :
- 5634-42-4
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C19-H26-O4.C4-H11-N-O2
- MOLECULAR WEIGHT :
- 423.61
- WISWESSER LINE NOTATION :
- L5TJ AVOY1&R D1& A1 B1 B1 CVQ &Q2M2Q
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 :
- 2808 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
Behavioral - somnolence (general depressed activity)
Behavioral - ataxia
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,5121,1993
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher
information, see NSAPCC. Volume(issue)/page/year: 222,244,1954
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: 6,504,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: 6,504,1982
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 9100 mg/kg/13W-I
- TOXIC EFFECTS :
- Liver - changes in liver weight
Kidney, Ureter, Bladder - changes in bladder weight
Blood - normocytic anemia
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 27,5121,1993
托莰非 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）:无
2.氢键供体数量:4
3.氢键受体数量:7
4.可旋转化学键数量:9
5.互变异构体数量:无
6.拓扑分子极性表面积:116
7.重原子数量:30
8.表面电荷:0
9.复杂度:491
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:2
