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蛇根平定
- 基本信息
- 制备方法及用途
- 物化性质
- 安全信息
- 毒理性
- 结构与计算化学
- 上游产品
蛇根平定 基本信息
- 中文名称:
- 蛇根平定
- 中文别名:
- 蛇根平定;
去甲氧利血平;
17-甲氧基-18-[(3,4,5-三甲氧基苯甲酰)氧]育亨烷-16-甲酸甲酯
- 英文名称:
- Yohimban-16-carboxylicacid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3b,16b,17a,18b,20a)-
- 英文别名:
- deserpidine;
DESERPIDINE;
Recanescin;
Recanescine;
Harmonyl;
Raunormine;
Canescine;
methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;
Deserpidine;
Canescin;
Deserpidin;
Desepridine;
Raunormin;
17-methoxy-18-(3,4,5-trimethoxy-benzoyloxy)-yohimbane-16-carboxylic acid methyl ester
- CAS No.:
- 131-01-1
- 分 子 式:
- C32H38N2O8
- 分 子 量:
- 578.66
- 精确分子量:
- 578.26300
- PSA:
- 108.55000
- EINECS:
- 205-004-8
- InChI:
- InChI=1/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1
- 分子结构式:
-
- SDS:
- 查看
蛇根平定 物化性质
- 外观与性状:
- 白色晶体粉末
- 密度:
- 1.32 g/cm3
- 熔点:
- ~275 °C (dec.)(lit.)
- 沸点:
- 676.1ºC at 760 mmHg
- 闪点:
- 362.7ºC
- 水溶解性:
- slightly soluble
- 折射率:
- 1.625
- 蒸汽压:
- 3.87E-18mmHg at 25°C
蛇根平定 安全信息
- WGK_Germany:
- 3
德国有关水污染物质的分类清单
蛇根平定 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- ZG0875000
- CHEMICAL NAME :
- 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid,
18-beta-hydroxy-17-alpha-methoxy-, methyl ester,
3,4,5-trimethoxybenzoate (ester)
- CAS REGISTRY NUMBER :
- 131-01-1
- BEILSTEIN REFERENCE NO. :
- 0101820
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 12
- MOLECULAR FORMULA :
- C32-H38-N2-O8
- MOLECULAR WEIGHT :
- 578.72
- WISWESSER LINE NOTATION :
- T F6 D5 C666 EM ON&&TTTJ SOVR CO1 DO1 EO1& TO1 UVO1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 15 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,104,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Behavioral - coma
Lungs, Thorax, or Respiration - dyspnea
Gastrointestinal - hypermotility, diarrhea
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific
Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see
JPMSAE. Volume(issue)/page/year: 44,688,1955
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 60 mg/kg
- TOXIC EFFECTS :
- Behavioral - coma
Lungs, Thorax, or Respiration - dyspnea
Gastrointestinal - hypermotility, diarrhea
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific
Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see
JPMSAE. Volume(issue)/page/year: 44,688,1955
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 25690 mg/kg/4W-C
- TOXIC EFFECTS :
- Related to Chronic Data - death
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific
Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see
JPMSAE. Volume(issue)/page/year: 44,688,1955
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 80 mg/kg/4D-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific
Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see
JPMSAE. Volume(issue)/page/year: 44,688,1955
** TUMORIGENIC DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 16 mg/kg/9Y-C
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria
Skin and Appendages - tumors
- REFERENCE :
- LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823-
Volume(issue)/page/year: 2,672,1974
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 54 mg/kg/77W-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Liver - tumors
Blood - lymphoma, including Hodgkin's disease
- REFERENCE :
- COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences.
(Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV.
Volume(issue)/page/year: 254,1535,1962
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- DOSE :
- 4950 mg/kg
- SEX/DURATION :
- female 6-16 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
before birth)
- REFERENCE :
- CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses
Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849-
Volume(issue)/page/year: 155,2291,1961
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- DOSE :
- 1600 ug/kg
- SEX/DURATION :
- female 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - other measures of fertility
- REFERENCE :
- AJOGAH American Journal of Obstetrics and Gynecology. (C.V. Mosby Co.,
11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1920-
Volume(issue)/page/year: 83,1405,1962
*** REVIEWS ***
TOXICOLOGY REVIEW
CLPTAT Clinical Pharmacology and Therapeutics (St. Louis). (C.V. Mosby Co.,
11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1960-
Volume(issue)/page/year: 5,480,1964
TOXICOLOGY REVIEW
ADVPA3 Advances in Pharmacology. (New York, NY) V.1-6, 1962-68. For
publisher information, see AVPCAQ. Volume(issue)/page/year: 4,263,1966
*** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***
NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA :
NOES - National Occupational Exposure Survey (1983)
NOES Hazard Code - X9135
No. of Facilities: 35 (estimated)
No. of Industries: 1
No. of Occupations: 1
No. of Employees: 430 (estimated)
No. of Female Employees: 239 (estimated)
蛇根平定 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:154.57
2、 摩尔体积(cm3/mol):436.6
3、 等张比容(90.2K):1215.8
4、 表面张力(dyne/cm):60.0
5、 极化率(10-24cm3):61.27
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:1
3.氢键受体数量:9
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109
7.重原子数量:42
8.表面电荷:0
9.复杂度:953
10.同位素原子数量:0
11.确定原子立构中心数量:6
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
湖北魏氏化学试剂股份有限公司
- 产品介绍:
-
产品名称:蛇根平定:地舍平
Cas号:131-01-1
纯度:98%
包装信息:500g/袋
价格:洽谈
- 联系方式:
-
联系人:张经理
电话:027-59102966
手机:18717199209
湖北魏氏化学试剂股份有限公司
- 产品介绍:
-
产品名称:地舍平
Cas号:131-01-1
纯度:98%
包装信息:100g
价格:1,296.0元
- 联系方式:
-
联系人:刘涛
电话:027-59101766
手机:13125137661
宝鸡市国康海思化学技术有限公司
- 产品介绍:
-
产品名称:蛇根平定
Cas号:131-01-1
纯度:98
包装信息:1kg
价格:洽谈
- 联系方式:
-
联系人:杨经理
电话:0917-3909592
手机:13892490616
湖北鑫鸣泰化学有限公司
- 产品介绍:
-
产品名称:地舍平
Cas号:131-01-1
纯度:99%
包装信息:100kg,200kg
价格:1.0元 - 1.0元
- 联系方式:
-
联系人:黄
电话:027-50662354
手机:13264726139
山东默派生物科技有限公司
- 产品介绍:
-
产品名称:蛇根平定
Cas号:131-01-1
纯度:99%
包装信息:1kg
价格:洽谈
- 联系方式:
-
联系人:张经理
电话:13070690626
手机:13070690626
湖北江民泰华化工有限公司
- 产品介绍:
-
产品名称:地舍平
Cas号:131-01-1
纯度:99%
包装信息:25kg,200kg
价格:洽谈
- 联系方式:
-
联系人:张经理
电话:13396038321
手机:13396038321
湖北恩星生物科技有限公司
- 产品介绍:
-
产品名称:蛇根平定
Cas号:131-01-1
纯度:
包装信息:500kg,400kg,300kg,200kg,100kg
价格:64.0元 - 100.0元
- 联系方式:
-
联系人:邵经理
电话:16621771607
手机:16621771607
北京谨明生物科技有限公司
- 产品介绍:
-
产品名称:地舍平
Cas号:131-01-1
纯度:≥98% (HPLC)
包装信息:5mg
价格:洽谈
- 联系方式:
-
联系人:唐朝晖
电话:15801484223;18511084608
手机:
上海顺勃生物工程技术有限公司
- 产品介绍:
-
产品名称:地舍平
Cas号:131-01-1
纯度:
包装信息:洽谈
价格:洽谈
- 联系方式:
-
联系人:李星
电话:021-33865198
手机:13611782028
武汉瑞安康泰精细化工有限公司
- 产品介绍:
-
产品名称:地舍平
Cas号:131-01-1
纯度:
包装信息:洽谈
价格:洽谈
- 联系方式:
-
联系人:王鹏飞
电话:027-86889881
手机:18086080749