中文名 |
雷佐生
|
英文名 |
razoxane
|
中文别名 |
(±)-1,2-双(3,5-二氧哌嗪基)丙烷
拉唑沙
|
英文别名 |
Zinecard
ICRF-187
Propane, (.+-.)-1,2-bis(3,5-dioxopiperazin-1-yl)-
ICRF-159
ICRF
Eucardion
Razoxane
Razoxin
|
密度 |
1.2576 (rough estimate) |
沸点 |
882.3ºC at 760 mmHg |
熔点 |
193ºC |
分子式 |
C11H16N4O4 |
分子量 |
268.26900 |
闪点 |
487.4ºC |
精确质量 |
268.11700 |
PSA |
98.82000 |
蒸汽压 |
1.08E-31mmHg at 25°C |
折射率 |
1.6081 (estimate) |
稳定性 |
(+)-构(Dexrazoxane):[24584-09-6]。从含水甲醇-乙醚结晶,熔点193℃。[α]D+11.35°(C=5,二甲基甲酰胺)。溶解度(mg/ml):10~12(水),35~43(0.1mol/L盐酸),25~34(0.1mol/L氢氧化钠),6.7~10(10%乙醇),1(甲醇),7.1~10[水-二甲基甲酰胺(1:1)],9.7~14.5[0.1mol/L柠檬酸盐缓冲液(Ph值4)],8.7~13[0.1mol/L硼酸缓冲液(Ph值9)]。 |
分子结构 |
1、 摩尔折射率:63.12
2、 摩尔体积(cm3/mol):201.2
3、 等张比容(90.2K):539.3
4、 表面张力(dyne/cm):51.6
5、 极化率(10-24cm3):25.02 |
计算化学 |
1.疏水参数计算参考值(XlogP):-1.4
2.氢键供体数量:2
3.氢键受体数量:6
4.可旋转化学键数量:3
5.互变异构体数量:25
6.拓扑分子极性表面积98.8
7.重原子数量:19
8.表面电荷:0
9.复杂度:404
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:1
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 |
更多 |
1.性状:白色或近白色或淡米黄色结晶或结晶性粉末,无臭,味微苦。
2.熔点:233-234℃(分解),熔点237-239℃。
3.溶解度:.可溶于热水,难溶于水或乙醇。 |
CHEMICAL IDENTIFICATION
-
RTECS NUMBER :
-
TL6400000
-
CHEMICAL NAME :
-
2,6-Piperazinedione, 4,4'-propylenedi-, (+-)-
-
CAS REGISTRY NUMBER :
-
21416-87-5
-
LAST UPDATED :
-
199612
-
DATA ITEMS CITED :
-
19
-
MOLECULAR FORMULA :
-
C11-H16-N4-O4
-
MOLECULAR WEIGHT :
-
268.31
-
WISWESSER LINE NOTATION :
-
T6VMV ENTJ E3- ET6VMV ENTJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Human
-
DOSE/DURATION :
-
81 mg/kg/3D-I
-
TOXIC EFFECTS :
-
Gastrointestinal - nausea or vomiting Blood - leukopenia Blood - thrombocytopenia
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Human
-
DOSE/DURATION :
-
500 mg/kg
-
TOXIC EFFECTS :
-
Gastrointestinal - nausea or vomiting Blood - leukopenia Blood - thrombocytopenia
-
TYPE OF TEST :
-
LD50 - Lethal dose, 50 percent kill
-
ROUTE OF EXPOSURE :
-
Intraperitoneal
-
SPECIES OBSERVED :
-
Rodent - mouse
-
DOSE/DURATION :
-
861 mg/kg
-
TOXIC EFFECTS :
-
Details of toxic effects not reported other than lethal dose value
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Intraperitoneal
-
SPECIES OBSERVED :
-
Rodent - rat
-
DOSE/DURATION :
-
7488 mg/kg/52W-I
-
TOXIC EFFECTS :
-
Tumorigenic - Carcinogenic by RTECS criteria Reproductive - Tumorigenic effects - uterine tumors
-
TYPE OF TEST :
-
TD - Toxic dose (other than lowest)
-
ROUTE OF EXPOSURE :
-
Intraperitoneal
-
SPECIES OBSERVED :
-
Rodent - rat
-
DOSE/DURATION :
-
15 gm/kg/Y-I
-
TOXIC EFFECTS :
-
Tumorigenic - Carcinogenic by RTECS criteria Reproductive - Tumorigenic effects - uterine tumors
-
TYPE OF TEST :
-
TD - Toxic dose (other than lowest)
-
ROUTE OF EXPOSURE :
-
Intraperitoneal
-
SPECIES OBSERVED :
-
Rodent - mouse
-
DOSE/DURATION :
-
12 gm/kg/Y-I
-
TOXIC EFFECTS :
-
Tumorigenic - Carcinogenic by RTECS criteria Blood - lymphoma, including Hodgkin's disease
-
TYPE OF TEST :
-
TD - Toxic dose (other than lowest)
-
ROUTE OF EXPOSURE :
-
Intraperitoneal
-
SPECIES OBSERVED :
-
Rodent - mouse
-
DOSE/DURATION :
-
1 gm/kg/8W-I
-
TOXIC EFFECTS :
-
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
DOSE :
-
37500 ug/kg
-
SEX/DURATION :
-
female 6-8 day(s) after conception
-
TOXIC EFFECTS :
-
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
DOSE :
-
37500 ug/kg
-
SEX/DURATION :
-
female 6-8 day(s) after conception
-
TOXIC EFFECTS :
-
Reproductive - Specific Developmental Abnormalities - body wall Reproductive - Specific Developmental Abnormalities - musculoskeletal system
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
DOSE :
-
30 mg/kg
-
SEX/DURATION :
-
female 6-8 day(s) after conception
-
TOXIC EFFECTS :
-
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Intraperitoneal
-
DOSE :
-
37500 mg/kg
-
SEX/DURATION :
-
female 6-8 day(s) after conception
-
TOXIC EFFECTS :
-
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
DOSE :
-
10 mg/kg
-
SEX/DURATION :
-
female 8 day(s) after conception
-
TOXIC EFFECTS :
-
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
DOSE :
-
15 mg/kg
-
SEX/DURATION :
-
female 6-8 day(s) after conception
-
TOXIC EFFECTS :
-
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Unreported
-
DOSE :
-
2520 mg/kg
-
SEX/DURATION :
-
male 42 day(s) pre-mating
-
TOXIC EFFECTS :
-
Reproductive - Paternal Effects - testes, epididymis, sperm duct
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
DOSE :
-
105 mg/kg
-
SEX/DURATION :
-
female 6-8 day(s) after conception
-
TOXIC EFFECTS :
-
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)
MUTATION DATA
-
TYPE OF TEST :
-
Mutation in mammalian somatic cells
-
TEST SYSTEM :
-
Rodent - mouse Lung
-
DOSE/DURATION :
-
200 ug/L
-
REFERENCE :
-
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 157,199,1985
|
100g的1,2-丙二胺四乙酸和400ml甲酰胺,在氮气保护下,于100~110℃共热1h,再于150-155℃共热4h。所成的棕色的溶液在减压下,于80-90℃下蒸去溶剂。剩余物溶入120ml甲醇,在冰箱中放置过夜。过滤,用甲醇洗,在65℃下真空干燥,得到62g淡米黄色的雷佐生细微结晶,收率70%,熔点237~239℃。