(4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

(4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide 基本信息
CAS号 79-85-6 分子式 C22H24N2O8
分子量 444.43500 精确质量 　444.15300
PSA 　181.62000 LogP 　0.48590
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等价的CAS号：

60-54-8,79-85-6,7005-26-7,19369-52-9,19543-88-5,65517-29-5,112529-87-0,116660-71-0
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目录
基本信息 物化性质 毒性

基本信息 展开↓

CAS号：
79-85-6
3D弹球模型：
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分子式：
C22H24N2O8
分子量：
444.43500
中文名称：
(4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
英文名称：
(4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
中文别名：
(4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
英文别名：
(4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;
4-epi-tetracycline;
4'epi-N-TFA-daunorubicin;
Daunorubicin,N-(trifluoro-acetyl);
(4aS)-4t-dimethylamino-3,6t,10,12,12a-pentahydroxy-6c-methyl-1,11-dioxo-(4ar,5ac,12ac)-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide;
4'epi-N-trifluoroacetyl-daunorubicin;
Epi-tetracycline
精确分子量/精确质量：
444.15300
极性分子表面积/PSA：
181.62000
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: OFVLGDICTFRJMM-MEIPOBBDSA-N

物化性质展开↓

密度：
1.64 g/cm3
沸点：
682.8ºC at 760 mmHg
闪点：
366.7ºC
折射率：
1.74

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QI9277680
CHEMICAL NAME :
2-Naphthacenecarboxamide, 1,4,4a,5,5a,6,11,12a-octahydro-4-(dimethylamino)-1,11 -dioxo-6- methyl-3,6,10,12,12a-pentahydroxy-, 4-epimer
CAS REGISTRY NUMBER :
79-85-6
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C22-H24-N2-O8
MOLECULAR WEIGHT :
444.48

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
85800 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YHHPAL Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1953- Suspended 1966-78. Volume(issue)/page/year: 13,244,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
84800 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
40YJAX "Evaluation of Embryotoxicity, Mutagenicity and Carcinogenicity Risks In New Drugs, Proceedings of the Symposium on Toxicological Testing for Safety of New Drugs, 3rd, Prague, 1976," Benesova, O., et al., eds., Prague, Czechoslovakia, Univerzita Karlova, 1979 Volume(issue)/page/year: -,55,1979
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