去甲氧基醉椒素

去甲氧基醉椒素 基本信息
CAS号 15345-89-8 分子式 C14H12O3
分子量 228.24300 精确质量  228.07900
PSA  39.44000 LogP  2.81880

等价的CAS号:

1952-41-6,15345-89-8,23768-64-1

基本信息 展开↓

CAS号:
15345-89-8
3D弹球模型:
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分子式:
C14H12O3
分子量:
228.24300
中文名称:
去甲氧基醉椒素
英文名称:
Desmethoxy Yangonin
中文别名:
去甲氧基醉椒素;
(E)-4-甲氧基-6-苯乙烯基-2H-吡喃-2-酮;
卡文内酯
英文别名:
Desmethoxy Yangonin;
Desmethoxyyangonin;
DIHYDROKAVAIN;
(E)-4-Methoxy-6-(2-phenylethenyl)-2H-pyran-2-one,5,6-Dehydrokavain,Demethoxyyangonin
精确分子量/精确质量:
228.07900
极性分子表面积/PSA:
39.44000
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/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+

物化性质展开↓

外观与性状:
白色至淡的黄色粉末
密度:
1.18 g/cm3
熔点:
138-140ºC
沸点:
440ºC at 760 mmHg
闪点:
188ºC
折射率:
1.588
蒸汽压:
6.09E-08mmHg at 25°C

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ1240000
CHEMICAL NAME :
2H-Pyran-2-one, 4-methoxy-6-styryl-, (E)-
CAS REGISTRY NUMBER :
15345-89-8
LAST UPDATED :
199206
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C14-H12-O3
MOLECULAR WEIGHT :
228.26
WISWESSER LINE NOTATION :
T6OVJ DO1 F1U1R DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 177,261,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 177,261,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
55 mg/kg
TOXIC EFFECTS :
Behavioral - anticonvulsant
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 177,261,1969
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