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2H-1,3,2-Oxazaphosphorin-2-amine,N,N,3-tris(2-chloroethyl)tetrahydro-, 2-oxide

2H-1,3,2-Oxazaphosphorin-2-amine,N,N,3-tris(2-chloroethyl)tetrahydro-, 2-oxide


  • 中文别名:曲磷胺
  • 中文释义:曲磷胺;三氯乙磷胺
  • 英文别名:Trofosfamide;
    ifosfamide mustard;
    3-(2-Chloroethyl)-2-(bis(2-chloroethyl)amino)perhydro-2H-1,3,2-oxazaphosphorine 2-oxide;
    TROPHOSPHAMIDE;
    triphosphamide;
    3-(2-Chloroethyl)-2-(bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin 2-oxide;
    Asta Z 4828;
    2H-1,3,2-Oxazaphosphorin-2-amine,N,N,3-tris(2-chloroethyl)tetrahydro-,2-oxide (9ci);
    A-4828;
    2-(Bis(2-chloroethyl)amino)-3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide 
  • CAS No.:22089-22-1
  • 分子式:C9H18Cl3N2O2P
  • 分子量:323.61
  • 精确分子量:322.01700
  • PSA:42.59000
  • InChI:The Key: UMKFEPPTGMDVMI-UHFFFAOYSA-N
  • 分子结构式:

物化性质

密度:
1.35g/cm3
熔点:
47-49°C
沸点:
393.7ºC at 760mmHg
闪点:
191.9ºC
折射率:
1.518
蒸汽压:
2.09E-06mmHg at 25°C

安全信息

密度:
1.35g/cm3
熔点:
47-49°C
沸点:
393.7ºC at 760mmHg
闪点:
191.9ºC
折射率:
1.518
蒸汽压:
2.09E-06mmHg at 25°C

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RP5880000
CHEMICAL NAME :
2H-1,3,2-Oxazaphosphorine, 2-(bis(2-chloroethyl)amino)-3-(2-chloroethyl)tetrahyd ro-, 2-oxide
CAS REGISTRY NUMBER :
22089-22-1
LAST UPDATED :
199612
DATA ITEMS CITED :
25
MOLECULAR FORMULA :
C9-H18-Cl3-N2-O2-P
MOLECULAR WEIGHT :
323.61
WISWESSER LINE NOTATION :
T6NTJ A1 DOV1- ET5OVXTJ ER& C-& AL6XTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Human
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Kidney, Ureter, Bladder - hematuria Blood - leukopenia Blood - thrombocytopenia
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
202 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 :
210 mg/kg
TOXIC EFFECTS :
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 :
90 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold 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 :
464 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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
212 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 :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
157 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Micronucleus test
TYPE OF TEST :
Specific locus test
TYPE OF TEST :
Dominant lethal test
TYPE OF TEST :
Sperm Morphology
TYPE OF TEST :
Heritable translocation test

MUTATION DATA

TEST SYSTEM :
Rodent - hamster
DOSE/DURATION :
3300 ug/kg
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 38,35,1977

海关数据

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 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:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):1.8

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:7

5.互变异构体数量:无

6.拓扑分子极性表面积:32.8

7.重原子数量:17

8.表面电荷:0

9.复杂度:265

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

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