1,3,5,2,4,6-Triazatriphosphorine,2,2,4,4,6-pentakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-6-(4-morpholinyl)- (9CI)
- 中文别名：福曲他明
- 中文释义：福曲他明
- 英文别名：Fotretamine;
Fortrin;
Monomorpholine,pentaethyleneiminotriphosphonitrile;
Photrinum;
1,3,5,2,4,6-Triazatriphosphorine,2,2,4,4,6-pentakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-6-(4-morpholinyl);
Fotrin
- CAS No.：37132-72-2
- 分子式：
C14H28N9OP3
- 分子量：431.42
- 精确分子量：431.16300
- PSA：94.03000
- InChI：The Key: SCGZIPCHOAVGCL-UHFFFAOYSA-N
- 分子结构式：
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XX9470000
- CHEMICAL NAME :
- 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6-pentakis(1-aziridinyl)-2,2,4,4,6,6-hexahydr o-6- (4-morpholinyl)-
- CAS REGISTRY NUMBER :
- 37132-72-2
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 13
- MOLECULAR FORMULA :
- C14-H28-N9-O-P3
- MOLECULAR WEIGHT :
- 431.42
- WISWESSER LINE NOTATION :
- T6NPNPNPJ B- AT6N DOTJ& B- AT3NTJ& D- AT3NTJ& D- AT3NTJ& F- AT3NTJ& F- AT3NTJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 11200 ug/kg
- SEX/DURATION :
- male 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetal death
- TYPE OF TEST :
- DNA inhibition
- TYPE OF TEST :
- Cytogenetic analysis
MUTATION DATA
- TEST SYSTEM :
- Mammal - pig
- DOSE/DURATION :
- 15 mg/kg
- REFERENCE :
- CYGEDX Cytology and Genetics (English Translation). Translation of TGANAK. (Allerton Press Inc., 150 Fifth Ave., New York, NY 10011) V.8- 1974- Volume(issue)/page/year: 12(6),21,1978
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）:0.5
2.氢键供体数量:0
3.氢键受体数量:10
4.可旋转化学键数量:6
5.互变异构体数量:无
6.拓扑分子极性表面积:64.6
7.重原子数量:27
8.表面电荷:0
9.复杂度:751
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
