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89778-26-7生产厂家

89778-26-7价格

89778-26-7

89778-26-7结构式
89778-26-7结构式
  • 常用中文名:托瑞米芬
  • 常用英文名:Toremifene
  • CAS号:89778-26-7
  • 分子式:C26H28ClNO
  • 分子量:405.960
  • 相关类别: 原料药 抗肿瘤药 激素类抗肿瘤药
  • 发布时间:2018-04-21 08:00:00
  • 更新时间:2024-01-02 10:32:22
  • Toremifene (NK 622; FC 1157a)是第二代选择性雌激素受体调节剂,对雌激素受体的IC50为1μM。

化源商城直购

中文名 托瑞米芬
英文名 toremifene
中文别名 (Z)-2-[4-(4-氯-1,2-二苯基-1-丁烯基)苯氧基]-N,N-二甲基乙胺
2[4-(4-氯-1,2-二苯基-1-丁烯基)苯氧基-N,N-二甲基乙胺
涛瑞米芬
英文别名 Ethanamine, 2-(4-(4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (Z)-
(Z)-Toremifene
2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine
MFCD00801070
2-{4-[(1Z)-4-Chloro-1,2-diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine
ethanamine, 2-[4-[(1Z)-4-chloro-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-
2-({4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenyl}oxy)-N,N-dimethylethanamine
Toremifene Base
2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethanamine
Toremifene
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
(Z)-4-Chloro-1,2-diphenyl-1-[4-[2-(N,N-dimethylamino)ethoxy]phenyl]-1-butene
Ethanamine, 2-[4-[(1Z)-4-chloro-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-
(Z)-2-[4-(4-Chloro-1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine
密度 1.1±0.1 g/cm3
沸点 535.1±50.0 °C at 760 mmHg
熔点 108-110°C
分子式 C26H28ClNO
分子量 405.960
闪点 277.4±30.1 °C
精确质量 405.185944
PSA 12.47000
LogP 7.82
蒸汽压 0.0±1.4 mmHg at 25°C
折射率 1.588
储存条件 2-8℃
稳定性

枸橼酸托瑞米芬(Toremifene Citrate):C26H28C1NO?C6H807。[89778-27-8]。熔点160~162℃。
盐酸托瑞米芬(Toremifene Hydrochloride):C26H28C1NO?HCl。熔点194~196℃。

分子结构

1、 摩尔折射率:123.74

2、 摩尔体积(cm3/mol):367.6

3、 等张比容(90.2K):936.5

4、 表面张力(dyne/cm):42.1

5、 极化率(10-24cm3):49.05

计算化学

1.疏水参数计算参考值(XlogP):7.2

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:9

5.互变异构体数量:无

6.拓扑分子极性表面积12.5

7.重原子数量:29

8.表面电荷:0

9.复杂度:483

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:1

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

更多

1.性状:白色结晶。

2.熔点:108~110℃。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KH2156700
CHEMICAL NAME :
Ethanamine, 2-(4-(4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-di methyl-, (Z)-
CAS REGISTRY NUMBER :
89778-26-7
LAST UPDATED :
199801
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C26-H28-Cl-N-O
MOLECULAR WEIGHT :
406.00

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 :
1700 mg/kg
TOXIC EFFECTS :
Gastrointestinal - other changes Tumorigenic - active as anti-cancer agent
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
360 mg/kg/30D-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases Biochemical - Metabolism (Intermediary) - other proteins
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1092 mg/kg/13W-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases Biochemical - Metabolism (Intermediary) - other proteins
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
90 mg/kg
SEX/DURATION :
female 30 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
36300 ug/kg
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 18,303,1997 *** 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

危害码 (欧洲) Xi
风险声明 (欧洲) R37:Irritating to the respiratory system. R43:May cause sensitization by skin contact.
安全声明 (欧洲) S8-S24/25-S46
危险品运输编码 UN 2210
RTECS号 ZB3200000
包装等级 III
危险类别 9
海关编码 2922299090

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89778-26-7结构式

89778-26-7

文献:WO2011/13108 A1, ; Page/Page column 14 ;

4-(2-二甲基氨基乙氧基)二苯甲酮和3-苯基丙烯醛,在氢化铝锂存在下缩合,在含氯化氢的乙醇溶液中回流脱水,生成烯键,最后氯化得到托瑞米芬。89778-26-7 preparation

海关编码 2922299090
中文概述 2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素 品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
Summary 2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%