1H-吡咯,2-[(3,4-二甲基-2H-吡咯-2-亚基)甲基]-5-乙基-3,4-二甲基-
- 中文名称：
- 1H-吡咯,2-[(3,4-二甲基-2H-吡咯-2-亚基)甲基]-5-乙基-3,4-二甲基-
- 中文别名：
- 1H-吡咯,2-[(3,4-二甲基-2H-吡咯-2-亚基)甲基]-5-乙基-3,4-二甲基-
- 英文名称：
- Benzamide,N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitro-, hydrochloride(1:1)
- 英文别名：
- 2-[[4-(dimethylamino)-2-methoxy-5-nitrobenzoyl]amino]ethyl-diethylazanium,chloride;
Dimetpramide;
Dimethpramide
- CAS No.：
- 89591-51-5
- 分 子 式：
-
C16H26N4O4.ClH
- 分 子 量：
- 374.87
- 精确分子量：
- 374.17200
- PSA：
- 94.12000
- InChI：
- The Key: CUHDCJWCMZTSQV-UHFFFAOYSA-N3
- 安全术语：
- Poison by ingestion and intraperitoneal routes. An eye irritant. When heated to decomposition it emits toxic fumes of NOx and HCl.
- 分子结构式：
-
- SDS：
- 查看
1H-吡咯,2-[(3,4-二甲基-2H-吡咯-2-亚基)甲基]-5-乙基-3,4-二甲基- 物化性质
- 沸点：
- 468.8ºC at 760 mmHg
- 闪点：
- 237.3ºC
1H-吡咯,2-[(3,4-二甲基-2H-吡咯-2-亚基)甲基]-5-乙基-3,4-二甲基- 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CV4202880
- CHEMICAL NAME :
- Benzamide,
N-(2-(diethylamino)ethyl)-4-(dimethylamino)-2-methoxy
-5-nitro-, monohydrochloride
- CAS REGISTRY NUMBER :
- 89591-51-5
- LAST UPDATED :
- 199512
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C16-H26-N4-O4.Cl-H
- MOLECULAR WEIGHT :
- 374.92
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation).
Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey,
UK) V.30- 1967- Volume(issue)/page/year: 48,201,1985
** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 856 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation).
Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey,
UK) V.30- 1967- Volume(issue)/page/year: 48,201,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 230 mg/kg
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay)
Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation).
Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey,
UK) V.30- 1967- Volume(issue)/page/year: 48,201,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 159 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation).
Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey,
UK) V.30- 1967- Volume(issue)/page/year: 48,201,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 636 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation).
Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey,
UK) V.30- 1967- Volume(issue)/page/year: 48,201,1985
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2160 mg/kg/24D-I
- TOXIC EFFECTS :
- Vascular - BP lowering not characterized in autonomic section
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation).
Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey,
UK) V.30- 1967- Volume(issue)/page/year: 48,201,1985
1H-吡咯,2-[(3,4-二甲基-2H-吡咯-2-亚基)甲基]-5-乙基-3,4-二甲基- 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:2
3.氢键受体数量:6
4.可旋转化学键数量:8
5.互变异构体数量:2
6.拓扑分子极性表面积:91.8
7.重原子数量:25
8.表面电荷:0
9.复杂度:409
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:0
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:2
