3-beta,20-alpha-Yohimban-16-beta-carboxylic acid,1-(2-(diethylamino)ethyl)-18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester,3,4,5-trimethoxybenzoate (ester), tartrate (1:2)
CAS 1111-44-0 MFCD N/A
化学结构图
SMILES: CCN(CC)CCn1c2c(c3ccc(OC)cc31)CCC1CC3CC(OC(=O)c4cc(OC)c(OC)c(OC)c4)C(OC)C(C(=O)OC)C3CC21.O=C(O)C(O)C(O)C(=O)O
化学属性
| Mol. Weight | 1008.15 |
|---|---|
| Mol. Formula | C39H53N3O9.2C4H6O6 |
别名和识别编码
| Chemical Name | 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid,1-(2-(diethylamino)ethyl)-18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester,3,4,5-trimethoxybenzoate (ester), tartrate (1:2) |
|---|---|
| Synonym | 1-(2-(Diethylamino)ethyl)reserpine bitartrate Tensibar D. L. 152 Bietaserpine bitartrate Bitartrate acide de N-diethylamino ethyl-reserpine |
| CAS Number | 1111-44-0 |
| PubChem Substance ID | 121352 |
| InChI | InChI=1S/C40H54N2O9.C4H6O6/c1-9-41(10-2)15-16-42-31-21-26(45-3)12-14-27(31)28-13-11-23-17-24-18-34(38(49-7)35(40(44)50-8)29(24)22-30(23)36(28)42)51-39(43)25-19-32(46-4)37(48-6)33(20-25)47-5;5-1(3(7)8)2(6)4(9)10/h12,14,19-21,23-24,29-30,34-35,38H,9-11,13,15-18,22H2,1-8H3;1-2,5-6H,(H,7,8)(H,9,10)/t23?,24-,29-,30-,34+,35-,38-;1-,2-/m01/s1 |
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TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 4885 mg/kg TOXIC EFFECTS : Behavioral - tremor Skin and Appendages - hair Nutritional and Gross Metabolic - body temperature decrease 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: 5,81,1971
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 888 mg/kg TOXIC EFFECTS : Behavioral - food intake (animal) Gastrointestinal - ulceration or bleeding from stomach 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: 5,81,1971
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 620 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay) Gastrointestinal - hypermotility, diarrhea REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 14,1040,1964
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 430 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay) Gastrointestinal - hypermotility, diarr
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE : 3840 mg/kg SEX/DURATION : male 30 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands 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: 5,81,1971
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE : 24 gm/kg SEX/DURATION : female 30 day(s) pre-mating TOXIC EFFECTS : Reproductive - Maternal Effects - uterus, cervix, vagina 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: 5,81,1971
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