枸橼酸托瑞米芬

枸橼酸托瑞米芬 基本信息
CAS号 89778-27-8 分子式 C32H36ClNO8
分子量 598.08300 精确质量 　597.21300
PSA 　144.60000 LogP 　4.96650
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目录
基本信息 制备方法与用途 物化性质 安全信息 毒性

基本信息 展开↓

CAS号：
89778-27-8
分子式：
C32H36ClNO8
分子量：
598.08300
中文名称：
枸橼酸托瑞米芬
英文名称：
Toremifene Citrate
中文别名：
枸橼酸托瑞米芬;
2(4-(4-氯-1,2-二苯基-1-丁烯基)苯氧基-N,N-二甲基乙胺枸橼酸盐;
柠檬酸托瑞米芬;
2[4-(4-氯-1,2-二苯基-1-丁烯基)苯氧基-N,N-二甲基乙胺枸橼酸盐
英文别名：
Toremifene Citrate;
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine,2-hydroxypropane-1,2,3-tricarboxylic acid
精确分子量/精确质量：
597.21300
极性分子表面积/PSA：
144.60000
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/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;

生产制备方法及用途展开↓

制备方法

雌激素拮抗剂，抗癌药。

用途简介

物化性质展开↓

外观与性状：
白色或近乎于白色粉末
密度：
1.045g/cm3
熔点：
158-164ºC
沸点：
535.1ºC at 760 mmHg
闪点：
277.4ºC
折射率：
1.416-1.418

安全信息展开↓

海关代码：
2942000000
危险类别码：
R36/37/38
安全说明：
26-37/39
危险标志：
Xi: Irritant;

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KH2156800
CAS REGISTRY NUMBER :
89778-27-8
LAST UPDATED :
199706
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C26-H28-Cl-N-O.C6-H8-O7
MOLECULAR WEIGHT :
598.14

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 :
3 gm/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - effect, not otherwise specified Kidney, Ureter, Bladder - incontinence Skin and Appendages - hair
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
520 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Kidney, Ureter, Bladder - incontinence Skin and Appendages - hair
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
364 mg/kg/52W-C
TOXIC EFFECTS :
Brain and Coverings - changes in brain weight Blood - changes in erythrocyte (RBC) count Related to Chronic Data - changes in uterine weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
87360 ug/kg/2Y-C
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
3640 mg/kg/52W-C
TOXIC EFFECTS :
Liver - changes in liver weight Blood - pigmented or nucleated red blood cells Related to Chronic Data - changes in ovarian weight

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
35 mg/kg
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 17,1051,1996 *** 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: 66,367,1996 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: 66,367,1996 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: 66,367,1996
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