卡茄碱

卡茄碱 基本信息
CAS号 20562-03-2 分子式 C45H73NO14
分子量 852.05900 精确质量 　851.50300
PSA 　220.46000 LogP 　1.12070
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目录
基本信息 物化性质 安全信息 毒性

基本信息 展开↓

CAS号：
20562-03-2
3D弹球模型：
立即前往扯扯看
分子式：
C45H73NO14
分子量：
852.05900
中文名称：
卡茄碱
英文名称：
α-CHACONINE
中文别名：
卡茄碱;
α-卡茄碱;
Oxybendazole;
methyl N-(5-propoxy-3H-benzoimidazol-2-yl)carbamate;
methyl (6-propoxy-1H-benzimidazol-2-yl)carbamate;
Oxbendazole;
amifostine;
Propanoyl chloride, 2-bromo-2-methyl-;
AI3-16502;
NSC 76003;
1-Pentanol, 5-chloro-, acetate;
4,4'-Methylene-bis(2-ethylaniline);
N-(4-fluorophenyl)glycine;
L-4-Fluorophenylglycine;
6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid - iron (3:1);
5-nitroso-6-oxidonaphthalene-2-sulfonate;
2-naphthalenesulfonic acid, 6-hydroxy-5-nitroso-, iron(3+) sodium salt (3:1:3);
Naphthol Green B;
3-aminobutanenitrile;
2-amino-2-methyl-Propanenitri1e;
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3S,11E)-;
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (S)-(-)-;
(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione;
(3S,11E)-13,15-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione;
(11Z)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexa
英文别名：
α-CHACONINE;
CHACONINE;
CHACONINE,A;
A-CHACONINE WITH TLC;
A-CHACONINE;
A-CHACONINE FROM POTATO SPROUTS;
ALPA-CHACONINE
精确分子量/精确质量：
851.50300
极性分子表面积/PSA：
220.46000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
InChI=1/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/

物化性质展开↓

密度：
1.37 g/cm3
熔点：
228-236ºC
折射率：
1.621
存储条件/存储方法：
库房低温通风干燥,与食品原料分开存放

安全信息展开↓

包装等级：
III
风险类别：
6.1(b)
危险类别码：
R63
危险标志：
Xn: Harmful;

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FL6700000
CHEMICAL NAME :
alpha-Chaconine
CAS REGISTRY NUMBER :
20562-03-2
BEILSTEIN REFERENCE NO. :
0077396
LAST UPDATED :
199612
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C45-H73-N-O14
MOLECULAR WEIGHT :
852.19

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
84 mg/kg
TOXIC EFFECTS :
Blood - hemorrhage
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
19 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - cyanosis
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
160 mg/kg/8D-I
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
80 mg/kg/2D-I
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
40 mg/kg
SEX/DURATION :
female 5-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
20 mg/kg
SEX/DURATION :
female 5-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
165 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
90 mg/kg/3D (Continuous)
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 33,191,1995 *** REVIEWS *** TOXICOLOGY REVIEW FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,61,1979
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