吲哚美辛法呢酯,85801-02-1，生产厂家，价格-洛克化工网移动版

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基本信息

制备方法及用途

物化性质

毒理性

结构与计算化学

吲哚美辛法呢酯

中文名称：: 吲哚美辛法呢酯

中文别名：: 1-(4-氯苯甲酰基)-5-甲氧基-2-甲基-1-吲哚-3-乙酸3,7,11-三甲基-2,6,10-十二碳三烯酯;
吲哚美辛法呢酯

英文名称：: indomethacin farnesil

英文别名：: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;
3,7,11-Trimethyl-2,6,10-dodecatrienyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate;
1H-Indole-3-acetic acid,1-(4-chlorobenzoyl)-5-methoxy-2-methyl-,3,7,11-trimethyl-2,6,10-dodecatrienyl ester;
indometacin farnesil;
Infree (TN);
Infree;
E 0710;
Indomethacin farnesil

CAS No.：: 85801-02-1

分子式：: C₃₄H₄₀ClNO₄

分子量：: 0

精确分子量：: 561.26500

PSA：: 57.53000

分子结构式：

SDS：: 查看

吲哚美辛法呢酯物化性质

密度：
1.08g/cm3

沸点：
626.6ºC at 760 mmHg

闪点：
332.7ºC

折射率：
1.546

吲哚美辛法呢酯毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL3522820

CHEMICAL NAME :
1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 3,7,11-trimethyl-2,6,10- dodecatrienyl ester

CAS REGISTRY NUMBER :
85801-02-1

LAST UPDATED :
199506

DATA ITEMS CITED :
17

MOLECULAR FORMULA :
C34-H40-Cl-N-O4

MOLECULAR WEIGHT :
562.20
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 :
1680 mg/kg

TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,9,1989

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :
Intraperitoneal

SPECIES OBSERVED :
Rodent - rat

DOSE/DURATION :
3800 mg/kg

TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,9,1989

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :
Subcutaneous

SPECIES OBSERVED :
Rodent - rat

DOSE/DURATION :
2400 mg/kg

TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,9,1989

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :
Intramuscular

SPECIES OBSERVED :
Rodent - rat

DOSE/DURATION :
2 gm/kg

TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,9,1989

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :
Oral

SPECIES OBSERVED :
Rodent - mouse

DOSE/DURATION :
6800 mg/kg

TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Skin and Appendages - hair

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,9,1989

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :
Intraperitoneal

SPECIES OBSERVED :
Rodent - mouse

DOSE/DURATION :
1305 mg/kg

TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Skin and Appendages - hair

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,9,1989

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :
Subcutaneous

SPECIES OBSERVED :
Rodent - mouse

DOSE/DURATION :
>8 gm/kg

TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Skin and Appendages - hair

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,9,1989

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :
Intramuscular

SPECIES OBSERVED :
Rodent - mouse

DOSE/DURATION :
>4 gm/kg

TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,9,1989

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :
Oral

SPECIES OBSERVED :
Mammal - dog

DOSE/DURATION :
>3 gm/kg

TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,9,1989 ** 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 :
Gastrointestinal - ulceration or bleeding from small intestine Blood - normocytic anemia Biochemical - Metabolism (Intermediary) - other proteins

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,21,1989

TYPE OF TEST :
TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :
Oral

SPECIES OBSERVED :
Mammal - dog

DOSE/DURATION :
3500 mg/kg/5W-I

TOXIC EFFECTS :
Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - ulceration or bleeding from small intestine Kidney, Ureter, Bladder - other changes in urine composition

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,1481,1989

TYPE OF TEST :
TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :
Oral

SPECIES OBSERVED :
Mammal - dog

DOSE/DURATION :
36500 mg/kg/52-I

TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Related to Chronic Data - death

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,1481,1989 ** REPRODUCTIVE DATA **

TYPE OF TEST :
TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :
Oral

DOSE :
350 mg/kg

SEX/DURATION :
male 2 week(s) pre-mating female 2 week(s) pre-mating female 1-7 day(s) after conception

TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Effects on Embryo or Fetus - fetal death

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,49,1989

TYPE OF TEST :
TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :
Oral

DOSE :
140 mg/kg

SEX/DURATION :
male 2 week(s) pre-mating

TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,49,1989

TYPE OF TEST :
TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :
Oral

DOSE :
210 mg/kg

SEX/DURATION :
female 2 week(s) pre-mating female 1-7 day(s) after conception

TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,49,1989

TYPE OF TEST :
TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :
Oral

DOSE :
130 mg/kg

SEX/DURATION :
female 17-21 day(s) after conception lactating female 21 day(s) post-birth

TOXIC EFFECTS :
Reproductive - Maternal Effects - parturition Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Effects on Newborn - other neonatal measures or effects

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,97,1989

TYPE OF TEST :
TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :
Oral

DOSE :
6500 mg/kg

SEX/DURATION :
female 6-18 day(s) after conception

TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 17,87,1989

毒理学数据：

急性毒性LD₅₀小鼠，大鼠，狗(mg/kg)：6800～7800，1680～2000，>3000口服。

吲哚美辛法呢酯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:0
3.氢键受体数量:4
4.可旋转化学键数量:13
5.互变异构体数量:无
6.拓扑分子极性表面积57.5
7.重原子数量:40
8.表面电荷:0
9.复杂度:928
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:2
14.不确定化学键立构中心数量:0
15.共价键单元数量:1

推荐供应商

上海吉至生化科技有限公司

1-(4-氯苯甲酰基)-5-甲氧基-2-甲基-1-吲哚-3-乙酸3,7,11-三甲基-2,6,10-十二碳三烯酯
联系人：Shirley张
电  话：021-57520831
手  机：18116052675
Cas号：85801-02-1
包装：100mgea
纯度：98%
价格：745.0元
湖北魏氏化学试剂股份有限公司

3,7,11-三甲基十二碳-2,6,10-三烯-1-基 2-(1-(4-氯苯甲酰基)-5-甲氧基-2-甲基-1H-吲哚-3-基)乙酸酯
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价格：776.0元

吲哚美辛法呢酯

吲哚美辛法呢酯制备方法及用途

合成制备方法

用途

吲哚美辛法呢酯物化性质

吲哚美辛法呢酯毒理性

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

吲哚美辛法呢酯分子结构与计算化学数据

计算化学数据

推荐供应商

上海吉至生化科技有限公司

1-(4-氯苯甲酰基)-5-甲氧基-2-甲基-1-吲哚-3-乙酸3,7,11-三甲基-2,6,10-十二碳三烯酯

湖北魏氏化学试剂股份有限公司

3,7,11-三甲基十二碳-2,6,10-三烯-1-基 2-(1-(4-氯苯甲酰基)-5-甲氧基-2-甲基-1H-吲哚-3-基)乙酸酯

吲哚美辛法呢酯

吲哚美辛法呢酯 制备方法及用途

合成制备方法

用途

吲哚美辛法呢酯 物化性质

吲哚美辛法呢酯 毒理性

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

吲哚美辛法呢酯 分子结构与计算化学数据

计算化学数据

推荐供应商

上海吉至生化科技有限公司

1-(4-氯苯甲酰基)-5-甲氧基-2-甲基-1-吲哚-3-乙酸3,7,11-三甲基-2,6,10-十二碳三烯酯

湖北魏氏化学试剂股份有限公司

3,7,11-三甲基十二碳-2,6,10-三烯-1-基 2-(1-(4-氯苯甲酰基)-5-甲氧基-2-甲基-1H-吲哚-3-基)乙酸酯

吲哚美辛法呢酯制备方法及用途

吲哚美辛法呢酯物化性质

吲哚美辛法呢酯毒理性

吲哚美辛法呢酯分子结构与计算化学数据