苦豆碱

苦豆碱 基本信息
CAS号 56293-29-9 分子式 C15H24N2
分子量 232.36400 精确质量  232.19400
PSA  15.27000 LogP  2.43570

基本信息 展开↓

CAS号:
56293-29-9
3D弹球模型:
立即前往扯扯看
分子式:
C15H24N2
分子量:
232.36400
中文名称:
苦豆碱
英文名称:
ALOPERINE
中文别名:
苦豆碱
英文别名:
ALOPERINE;
ALLOPTERIN;
Aloperine,orMosanine;
ALOPERIN
精确分子量/精确质量:
232.19400
极性分子表面积/PSA:
15.27000
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:
The Key: SKOLRLSBMUGVOY-GBJTYRQASA-N

物化性质展开↓

外观与性状:
黄色结晶粉末
密度:
1.1g/cm3
熔点:
69 - 71ºC
沸点:
367.7ºC at 760mmHg
闪点:
155.8ºC
折射率:
1.583

安全信息展开↓

危险类别码:
R22
危险标志:
Xn

合成路线查看所有的合成路线

  • 220384-63-4

    220384-63-4

  • ~85%

  • 56293-29-9

    苦豆碱

  • 792937-18-9

    1-benzyl-2-oxo-6-piperidin-2-yl-1,2,3,4,6,7,8,8a-octahydro-quinoline-8-carboxylic acid methyl ester

  • 56293-29-9

    苦豆碱

  • 792937-19-0

    1-benzyl-8-hydroxymethyl-6-piperidin-2-yl-1,2,3,4,6,7,8,8a-octahydro-1H-quinoline

  • 56293-29-9

    苦豆碱

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RM2979500
CHEMICAL NAME :
Ormosanine, 16,17-didehydro-9-de-2-piperidinyl-, (7-alpha,9-alpha)-
CAS REGISTRY NUMBER :
56293-29-9
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C15-H24-N2
MOLECULAR WEIGHT :
232.41

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 :
480 mg/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: 10,360,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZYZAEU Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. China) V.24- 1989- Volume(issue)/page/year: 27,201,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
869 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 18,214,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
154 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZYZAEU Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. China) V.24- 1989- Volume(issue)/page/year: 27,201,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 17,170,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZYZAEU Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. China) V.24- 1989- Volume(issue)/page/year: 27,201,1992

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