cas号： 302-27-2 ，名称：乌头碱的性质/作用/用途-化学加百科

乌头碱

乌头碱基本信息
CAS号	302-27-2	分子式	C34H47NO11
分子量	645.73700	精确质量	645.31500
PSA	153.45000	LogP	0.58600

等价的CAS号：

302-27-2,140188-61-0

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基本信息制备方法与用途物化性质安全信息化学图谱毒性结构与计算数据上下游

基本信息展开↓

CAS号：: 302-27-2
3D弹球模型：: 立即前往扯扯看
分子式：: C34H47NO11
分子量：: 645.73700
中文名称：: 乌头碱
英文名称：: aconitine
中文别名：: 乌头碱;
乙醯苯甲醯原;
附子精
英文别名：: aconitine;
Aconitine;
Acotinine;
ACONITIN;
Aconitie;
ACONITANE
精确分子量/精确质量：: 645.31500
极性分子表面积/PSA：: 153.45000
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。
贝尔斯坦号/MDL：: MFCD00082375
EINECS：: 206-121-7
PubChem：: 24891304
BRN：: 74608
InChI：: InChI=1/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19?,20?,21?,22?,23?,24?,25?,26-,27+,28-,29?,31

生产制备方法及用途展开↓

制备方法

本品具有镇痛作用，临床上用于缓解癌痛，尤其适用于消化系统癌痛；外用时能麻痹周围神经末梢，产生局部麻醉和镇痛作用；有消炎作用，本品毒性极大，能兴奋麻痹感觉神经和中枢神经，兴奋麻痹胆碱能神经和呼吸中枢，兴奋心脏迷走神经，直接毒害心肌细胞。还有发汗作用。生化研究。

用途简介

用途

1.本品具有镇痛作用，临床上用于缓解癌痛，尤其适用于消化系统癌痛；外用时能麻痹周围神经末梢，产生局部麻醉和镇痛作用；有消炎作用，本品毒性极大，能兴奋麻痹感觉神经和中枢神经，兴奋麻痹胆碱能神经和呼吸中枢，兴奋心脏迷走神经，直接毒害心肌细胞。还有发汗作用。

2.生化研究。

物化性质展开↓

外观与性状：: 白色至灰白色粉末
密度：: 1.37 g/cm3
熔点：: 200-205ºC (dec.)
沸点：: 717.2ºC at 760 mmHg
闪点：: 387.6ºC
折射率：: 1.614
存储条件/存储方法：: 充氩气密封避光保存。
稳定性相关：: 1.剧毒，吸入或口服时极毒，使用时应避免与皮肤接触。
其它信息：: 1.       性状：白色六片状结晶。微有苦味。
2.       密度（g/mL,25/4℃）：未确定
3.       相对蒸汽密度（g/mL,空气=1）：未确定
4.       熔点（ºC）：204
5.       沸点（ºC,常压）：未确定
6.       沸点（ºC, 5.2kPa）：未确定
7.       折射率：未确定
8.       闪点（ºC）：未确定
9.       比旋光度（º ）：+17.3
10.    自燃点或引燃温度（ºC）：未确定
11.    蒸气压（kPa,25ºC）：未确定
12.    饱和蒸气压（kPa,60ºC）：未确定
13.    燃烧热（KJ/mol）：未确定
14.    临界温度（ºC）：未确定
15.    临界压力（KPa）：未确定
16.    油水（辛醇/水）分配系数的对数值：未确定
17.    爆炸上限（%,V/V）：未确定
18.    爆炸下限（%,V/V）：未确定
19.    溶解性：溶于氯仿、无水乙醇、乙醚和水，微溶于石油醚。

安全信息展开↓

危险类别码：: R26/28
安全说明：: S24-S45
安全标志：: S24:避免接触皮肤。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
危险标志：: T+: Very toxic;

化学图谱

乌头碱红外图谱(IR1)
乌头碱红外图谱(IR2)

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AR5960000

CHEMICAL NAME :: Aconitine (Crystalline)

CAS REGISTRY NUMBER :: 302-27-2

LAST UPDATED :: 199012

DATA ITEMS CITED :: 15

MOLECULAR FORMULA :: C34-H47-N-O11

MOLECULAR WEIGHT :: 645.82

WISWESSER LINE NOTATION :: T B6 B65 L6 C6 O5/CJ P 5BCCJQ S CX INTJ AO1 DO1 FQ G1O1 I2 LOV1 MQ NO1 OQ POVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 28 mg/kg

TOXIC EFFECTS :: Behavioral - excitement Gastrointestinal - hypermotility, diarrhea Gastrointestinal - other changes

REFERENCE :: 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,72,1969

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 250 ug/kg

TOXIC EFFECTS :: Cardiac - other changes Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 26,221,1928

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 80 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,324,1955

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 mg/kg

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

REFERENCE :: 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 8(1),159,1982

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 270 ug/kg

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

REFERENCE :: CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 2,170,1981

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 270 ug/kg

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

REFERENCE :: JJTOEX Japanese Journal of Toxicology. (Yakugyo Jihosha, Hokushin Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo, 101, Japan) V.1- 1988- Volume(issue)/page/year: 2,225,1989

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 120 ug/kg

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

REFERENCE :: JJTOEX Japanese Journal of Toxicology. (Yakugyo Jihosha, Hokushin Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo, 101, Japan) V.1- 1988- Volume(issue)/page/year: 2,225,1989

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 350 ug/kg

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

REFERENCE :: HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1291,1935

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 100 ug/kg

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

REFERENCE :: YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 23,873,1981

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 80 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,324,1955

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 131 ug/kg

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

REFERENCE :: HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1291,1935

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 50 ug/kg

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

REFERENCE :: JPHAA3 Journal of the American Pharmaceutical Association. (Washington, DC) V.1-28, 1912-39; New series: V.1-17, 1961-77. Volume(issue)/page/year: 12,957,1923

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 60 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,324,1955

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Bird - pigeon

DOSE/DURATION :: 66 ug/kg

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

REFERENCE :: HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1291,1935

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 586 ug/kg

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

REFERENCE :: HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1291,1935

毒理学数据：

大鼠急性经口LD₅₀为0.166mg/kg

生态数据：

三、生态学数据：

1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

分子结构与计算化学数据展开↓

分子结构数据

1、摩尔折射率：163.11

2、摩尔体积（cm³/mol）：468.2

3、等张比容（90.2K）：1321.1

4、表面张力（dyne/cm）：63.3

5、极化率（10^-24cm³）：64.66

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