664-95-9

664-95-9结构式
664-95-9结构式

化源商城直购

中文名 格列环脲
英文名 1-cyclohexyl-3-(4-methylphenyl)sulfonylurea
中文别名 托尼达明
英文别名 Glicosil
TOLCYCLAMIDE
Gliciclamide
1-cyclohexyl-3-tosylurea
Cyclamide
Glycyclamid
N-cyclohexyl-N'-(toluene-4-sulfonyl)-urea
Agliral
Cyclamid
N-Cyclohexyl-N'-(toluol-4-sulfonyl)-harnstoff
Cychloral
N1-p-Toluolsulfonyl-N2-cyclohexylharnstoff
Glycyclamide
Tolhexamide
N-(cyclohexylcarbamoyl)-4-methylbenzenesulfonamide
密度 1.26g/cm3
分子式 C14H20N2O3S
分子量 296.39
精确质量 296.11900
PSA 83.65000
LogP 4.17820
折射率 1.578
计算化学

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:2

3.氢键受体数量:3

4.可旋转化学键数量:3

5.互变异构体数量:3

6.拓扑分子极性表面积:83.6

7.重原子数量:20

8.表面电荷:0

9.复杂度:416

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:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YS7800000
CHEMICAL NAME :
Urea, 1-cyclohexyl-3-(p-tolylsulfonyl)-
CAS REGISTRY NUMBER :
664-95-9
BEILSTEIN REFERENCE NO. :
1995860
LAST UPDATED :
199706
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C14-H20-N2-O3-S
MOLECULAR WEIGHT :
296.42
WISWESSER LINE NOTATION :
L6TJ AMVMSWR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
870 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 12,268,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPOBAR Research Progress in Organic-Biological and Medicinal Chemistry. (New York, NY) V.1-3, 1964-72. Discontinued. Volume(issue)/page/year: 2,280,1970 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
800 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 28,616,1965

~95%

664-95-9结构式

664-95-9

文献:Cervello; Sastre Synthesis, 1990 , # 3 p. 221 - 222

~33%

664-95-9结构式

664-95-9

文献:Howbert; Grossman; Crowell; Rieder; Harper; Kramer; Tao; Aikins; Poore; Rinzel; Grindey; Shaw; Todd Journal of Medicinal Chemistry, 1990 , vol. 33, # 9 p. 2393 - 2407

~75%

664-95-9结构式

664-95-9

文献:Xi, Pin-xian; Xu, Zhi-hong; Liu, Xiao-hui; Cheng, Feng-juan; Zeng, Zheng-zhi Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2008 , vol. 71, # 2 p. 523 - 528 Title/Abstract Full Text View citing articles Show Details Xi, Pin-Xian; Xu, Zhi-Hong; Liu, Xiao-Hui; Chen, Feng-Juan; Huang, Liang; Zeng, Zheng-Zhi Chemical and Pharmaceutical Bulletin, 2008 , vol. 56, # 4 p. 541 - 546

~%

664-95-9结构式

664-95-9

文献:Yuriev, Elizabeth; Kong, David C.M.; Iskander, Magdy N. European Journal of Medicinal Chemistry, 2004 , vol. 39, # 10 p. 835 - 847

~%

664-95-9结构式

664-95-9

文献:Logemann; Artini Chemische Berichte, 1957 , vol. 90, p. 2527,2531

~%

664-95-9结构式

664-95-9

文献:Logemann; Artini Chemische Berichte, 1957 , vol. 90, p. 2527,2531

~%

664-95-9结构式

664-95-9

文献:Logemann; Artini Chemische Berichte, 1957 , vol. 90, p. 2527,2531