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24279-91-2

24279-91-2结构式
24279-91-2结构式

化源商城直购

中文名 卡波醌
英文名 [2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethyl] carbamate
中文别名 咔巴醌
顺铂USP24
2,5-双(1-氮丙啶)-3-(1-甲氧基-2-氨基甲酰氧乙基)-6-甲基-1,4-苯醌
英文别名 Esquinon
Carbaziloquinone
Carbazilequinone
2,5-bis-aziridin-1-yl-3-(2-carbamoyloxy-1-methoxy-ethyl)-6-methyl-[1,4]benzoquinone
carboquone
Carboquonum [INN-Latin]
Carboquona [INN-Spanish]
Carbazilquinone
Carboquone [INN:JAN]
2,5-bis(1-aziridinyl)-3-(2-carbamoyloxy-1-methoxyethyl)-6-methyl-1,4-benzoquinone
密度 1.1990 (rough estimate)
沸点 460.09°C (rough estimate)
熔点 202° (dec)
分子式 C15H19N3O5
分子量 321.32800
精确质量 321.13200
PSA 101.71000
折射率 1.5600 (estimate)
计算化学

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:1

3.氢键受体数量:7

4.可旋转化学键数量:7

5.互变异构体数量:6

6.拓扑分子极性表面积:102

7.重原子数量:23

8.表面电荷:0

9.复杂度:644

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DK3400000
CHEMICAL NAME :
p-Benzoquinone, 2,5-bis(1-aziridinyl)-3-(2-hydroxy-1-methoxyethyl)-6- methyl-, carbamate
CAS REGISTRY NUMBER :
24279-91-2
BEILSTEIN REFERENCE NO. :
1400765
LAST UPDATED :
199806
DATA ITEMS CITED :
19
MOLECULAR FORMULA :
C15-H19-N3-O5
MOLECULAR WEIGHT :
321.37
WISWESSER LINE NOTATION :
T3NTJ A- BL6V DVJ C1 FYO1&1OVZ E- AT3NTJ

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 :
27300 ug/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3070 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3990 ug/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3620 ug/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
28600 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3440 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4900 ug/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5430 ug/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
35 mg/kg/5W-C
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in spleen weight Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
42 mg/kg/6W-C
TOXIC EFFECTS :
Endocrine - changes in spleen weight Endocrine - changes in thymus weight Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7 mg/kg/5W-C
TOXIC EFFECTS :
Endocrine - changes in spleen weight Endocrine - changes in thymus weight Related to Chronic Data - changes in uterine weight
TYPE OF TEST :
DNA damage

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
10 ug/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 44,3270,1984