terofenamate


  • 中文别名:特罗芬那酯
  • 中文释义:特罗芬那酯;氯灭酸酯 氯芬那酸酯 特罗氨酯
  • 英文别名:ethoxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate;
    Terofenamato [INN-Spanish];
    Etofen;
    Etoclofene;
    EINECS 249-434-4;
    Terofenamate;
    N-(2,6-Dichloro-m-tolyl)anthranilic acid ethoxymethyl ester;
    M-(2,6-Dichloro-m-tolyl)anthranilic acid ethoxymethyl ester;
    Ethoxymethyl N-(2,6-dichloro-m-tolyl)anthranilate;
    Terofenamatum [INN-Latin] 
  • CAS No.:29098-15-5
  • 分子式:

    C17H17Cl2NO3

  • 分子量:0
  • 精确分子量:353.05900
  • PSA:47.56000
  • InChI:The Key: FRQSLQPWXFAJFO-UHFFFAOYSA-N
  • 分子结构式:

物化性质

密度:
1.297g/cm3
沸点:
439ºC at 760 mmHg
闪点:
219.3ºC
折射率:
1.597
蒸汽压:
6.6E-08mmHg at 25°C

安全信息

密度:
1.297g/cm3
沸点:
439ºC at 760 mmHg
闪点:
219.3ºC
折射率:
1.597
蒸汽压:
6.6E-08mmHg at 25°C

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CB2975100
CHEMICAL NAME :
Anthranilic acid, N-(2,6-dichloro-m-tolyl)-, ethoxymethyl ester
CAS REGISTRY NUMBER :
29098-15-5
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C17-H17-Cl2-N-O3
MOLECULAR WEIGHT :
354.25
WISWESSER LINE NOTATION :
GR CG D1 BMR BVO1O2

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 :
307 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - cough
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 115,41,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
274 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - cough
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 115,41,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
918 mg/kg
TOXIC EFFECTS :
Gastrointestinal - other changes
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 115,41,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Gastrointestinal - other changes
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 115,41,1976 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6240 mg/kg/26W-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - changes in leukocyte (WBC) count Related to Chronic Data - death
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 115,41,1976

海关数据

中国海关编码:2922509090

概述:
2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验
摘要/Summary:
2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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):5.8

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:7

5.互变异构体数量:4

6.拓扑分子极性表面积:47.6

7.重原子数量:23

8.表面电荷:0

9.复杂度:383

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

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