1,3-Benzenedicarboxamide,5-[acetyl(2-hydroxy-3-methoxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
- 中文别名：碘喷托
- 中文释义：碘喷托
- 英文别名：5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;
IOPENTOL;
UNII-7D6XWX076T;
Iopentolum;
Imagopaque
- CAS No.：89797-00-2
- 分子式：
C20H28I3N3O9
- 分子量：0
- 精确分子量：834.89600
- PSA：195.87000
- 分子结构式：
物化性质
- 密度：
- 2.095g/cm3
- 沸点：
- 858.8ºC at 760 mmHg
- 闪点：
- 473.2ºC
- 折射率：
- 1.693
安全信息
- 密度：
- 2.095g/cm3
- 沸点：
- 858.8ºC at 760 mmHg
- 闪点：
- 473.2ºC
- 折射率：
- 1.693
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CZ2211000
- CHEMICAL NAME :
- 1,3-Benzenedicarboxamide, 5-(acetyl(2-hydroxy-3-methoxypropyl)amino)-N,N'-bis (2,3-dihydroxypropyl)-2,4,6-triiodo-
- CAS REGISTRY NUMBER :
- 89797-00-2
- LAST UPDATED :
- 199509
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C20-H28-I3-N3-O9
- MOLECULAR WEIGHT :
- 835.21
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 22573 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARASA5 Acta Radiologica, Supplementum. (Acta Radiologica, POB 7449, S-10391 Stockholm, Sweden) No.1- 1921- Volume(issue)/page/year: 370,41,1987
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 42517 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARASA5 Acta Radiologica, Supplementum. (Acta Radiologica, POB 7449, S-10391 Stockholm, Sweden) No.1- 1921- Volume(issue)/page/year: 370,41,1987 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 553 gm/kg/28D-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Endocrine - changes in thyroid weight
- REFERENCE :
- ARASA5 Acta Radiologica, Supplementum. (Acta Radiologica, POB 7449, S-10391 Stockholm, Sweden) No.1- 1921- Volume(issue)/page/year: 370,45,1987
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）:无
2.氢键供体数量:7
3.氢键受体数量:9
4.可旋转化学键数量:13
5.互变异构体数量:3
6.拓扑分子极性表面积:189
7.重原子数量:35
8.表面电荷:0
9.复杂度:668
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:3
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
