60784-46-5

60784-46-5结构式
60784-46-5结构式

化源商城直购

中文名 依莫司汀
英文名 1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitrosourea
英文别名 Hydroxyethyl CNU
CNU-ethanol
1-(2-hydroxyethyl)-3-(2-chloroethyl)-3-nitroso urea
N-(2-Hydroxyethyl)-N'-(2-chloroethyl)-N'-nitrosourea
N1-(2-hydroxyethyl)-N3-(2-chloroethyl)-N3-nitrosourea
Hecnu
Elmustine
Elmustine [INN]
Elmustinum [Latin]
Elmustina [Spanish]
密度 1.45g/cm3
熔点 56°C
分子式 C5H10ClN3O3
分子量 195.60400
精确质量 195.04100
PSA 82.00000
LogP 0.30140
折射率 1.549
储存条件 库房低温通风干燥,与食品原料分开存放
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:4

4.可旋转化学键数量:4

5.互变异构体数量:2

6.拓扑分子极性表面积:82

7.重原子数量:12

8.表面电荷:0

9.复杂度:155

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 :
YS4986000
CHEMICAL NAME :
Urea, 1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitroso-
CAS REGISTRY NUMBER :
60784-46-5
LAST UPDATED :
199612
DATA ITEMS CITED :
15
MOLECULAR FORMULA :
C5-H10-Cl-N3-O3
MOLECULAR WEIGHT :
195.63
WISWESSER LINE NOTATION :
Q2MVNNO&2G

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 :
25300 ug/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - chronic pulmonary edema Gastrointestinal - ulceration or bleeding from stomach Blood - changes in bone marrow (not otherwise specified)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
16 mg/kg/60W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
32 mg/kg/60W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Brain and Coverings - tumors Gastrointestinal - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
64 mg/kg/60W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Gastrointestinal - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
96 mg/kg/60W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Gastrointestinal - tumors
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
DNA damage

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - mouse Lung
DOSE/DURATION :
1 mg/L/1H
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 44,87,1977

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