屈洛昔芬

屈洛昔芬 基本信息
CAS号 82413-20-5 分子式 C32H37NO9
分子量 579.63700 精确质量 　579.24700
PSA 　164.83000 LogP 　4.45320
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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：
82413-20-5
3D弹球模型：
立即前往扯扯看
分子式：
C32H37NO9
分子量：
579.63700
中文名称：
屈洛昔芬
英文名称：
3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
中文别名：
屈洛昔芬;
3-[1-[4-(2-二甲基氨基乙氧基)苯基]-2-苯基丁-1-烯基]苯酚;
屈洛昔酚
英文别名：
3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;
K 060;
(E)-1-(4'-(2-dimethylaminoethoxy)phenyl)-1-(3-hydroxyphenyl)-2-phenylbut-1-ene;
K 060E;
3-Hydroxytamoxifen;
E-Droloxifene;
Droloxifenum [Latin];
FK-435;
Droloxifeno [Spanish];
E-1-[4'-(2-dimethylaminoethoxy)-phenyl]-1-(3'-hydroxyphenyl)-2-phenyl-1-butene;
Droloxifene
精确分子量/精确质量：
579.24700
极性分子表面积/PSA：
164.83000
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: ZQZFYGIXNQKOAV-OCEACIFDSA-N

物化性质展开↓

外观与性状：
灰白色至灰白的-米色固体
密度：
1.092 g/cm3
熔点：
127-129ºC
沸点：
526.6ºC at 760 mmHg
折射率：
1.596

合成路线查看所有的合成路线

  • 263395-59-1

    263395-59-1

  • →

    ~62%

  • 82413-20-5

    屈洛昔芬

  • 879893-00-2

    3-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenyl pivalate

  • →

    ~60%

  • 82413-20-5

    屈洛昔芬

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL1209900
CHEMICAL NAME :
Phenol, 3-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-b utenyl)-, (E)-
CAS REGISTRY NUMBER :
82413-20-5
LAST UPDATED :
199704
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C26-H29-N-O2
MOLECULAR WEIGHT :
387.56

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 :
>4500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 9,186,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 9,186,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 9,186,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 9,186,1984 *** REVIEWS *** IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 66,241,1996 IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 66,241,1996 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 66,241,1996

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