(7S)-7-(dimethylamino)-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one

(7S)-7-(dimethylamino)-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one 基本信息
CAS号 7336-44-9 分子式 C22H27NO5
分子量 385.45300 精确质量 　385.18900
PSA 　57.23000 LogP 　3.29710
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
7336-44-9
3D弹球模型：
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分子式：
C22H27NO5
分子量：
385.45300
英文名称：
(7S)-7-(dimethylamino)-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
英文别名：
(7S)-7-(dimethylamino)-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one;
N,N-dimethyldeacetylcolchicine;
N-Methyldemecolcine;
N-Deacetyl-N,N-dimethylcolchicine;
Demecolcine,N-methyl;
N,N-Dimethyl-desacetyl-colchicin;
N-Methyl-demecolcin;
Methylademecolcine,N;
N-methyldemocolcine;
COLCHICINE,N-DEACETYL-N,N-DIMETHYL;
N-Methylcolchamine
精确分子量/精确质量：
385.18900
极性分子表面积/PSA：
57.23000
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: NDKXARFZWSQXGE-INIZCTEOSA-N

物化性质展开↓

密度：
1.2g/cm3
沸点：
619.7ºC at 760 mmHg
闪点：
328.6ºC
折射率：
1.581

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    (7S)-7-(dimethylamino)-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GH0792000
CHEMICAL NAME :
Colchicine, N-deacetyl-N,N-dimethyl-
CAS REGISTRY NUMBER :
7336-44-9
LAST UPDATED :
198706
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C22-H27-N-O5
MOLECULAR WEIGHT :
385.50
WISWESSER LINE NOTATION :
L B677 MV&T&J CO1 DO1 EO1 JN1&1 NO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
27 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Gastrointestinal - hypermotility, diarrhea
REFERENCE :
PHTXA6 Pharmacology and Toxicology. English translation of FATOAO. (New York, NY) V.20-22, 1957-59. Discontinued. Volume(issue)/page/year: 20,284,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 24,636,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
45 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Gastrointestinal - hypermotility, diarrhea
REFERENCE :
PHTXA6 Pharmacology and Toxicology. English translation of FATOAO. (New York, NY) V.20-22, 1957-59. Discontinued. Volume(issue)/page/year: 20,284,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 24,257,1981

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    Benzo[a]heptalen-9(5H)-one,7-amino-6,7-dihydro-1,2,3,10-tetramethoxy-, (7S)-

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