1H-Pyrazolo[1,2-a][1,2,4]benzotriazine-1,3(2H)-dione,5-(dimethylamino)-9-methyl-2-propyl-
- 中文别名：阿扎丙宗
- 中文释义：阿扎丙宗;阿扎丙酮 炎爽痛 吖丙吡唑酮
- 英文别名：apazone;
5-(dimethylamino)-9-methyl-2-propylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione;
5-dimethylamino-9-methyl-2-propyl-benzo[e]pyrazolo[1,2-a][1,2,4]triazine-1,3-dione;
Prolixan;
Azapropazon;
Azapropazona;
Sinnamin;
3-dimethylamino-7-methyl-1,2-(n-propylmalonyl)-1,2-dihydro-1,2,4-benzotriazine;
Rheumox;
APAZONE;
Mitrolan;
Cinnopropazone;
Azapropazonum;
Cinnamin;
azapropazone
- CAS No.：13539-59-8
- 分子式：
C16H20N4O2
- 分子量： 300.40
- 精确分子量：300.15900
- PSA：60.13000
- InChI：The Key: MPHPHYZQRGLTBO-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.29g/cm3
- 沸点：
- 438ºC at 760mmHg
- 闪点：
- 218.7ºC
- 折射率：
- 1.646
- 蒸汽压：
- 7.16E-08mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥
安全信息
- 密度：
- 1.29g/cm3
- 沸点：
- 438ºC at 760mmHg
- 闪点：
- 218.7ºC
- 折射率：
- 1.646
- 蒸汽压：
- 7.16E-08mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UQ9835000
- CHEMICAL NAME :
- 1H-Pyrazolo(1,2-a)(1,2,4)benzotriazine-1,3(2H)-dione, 5-(dimethylamino)-9-methyl-2-propyl-
- CAS REGISTRY NUMBER :
- 13539-59-8
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C16-H20-N4-O2
- MOLECULAR WEIGHT :
- 300.40
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 52560 mg/kg/3Y-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
- REFERENCE :
- BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 292,97,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1800 mg/kg
- TOXIC EFFECTS :
- Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 15,41,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 650 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CMROCX Current Medical Research and Opinion. (Clayton-Wray Pub. Ltd., 1a High St., Alton, Hants., UK) V.1- 1972- Volume(issue)/page/year: 4,17,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 660 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- CMROCX Current Medical Research and Opinion. (Clayton-Wray Pub. Ltd., 1a High St., Alton, Hants., UK) V.1- 1972- Volume(issue)/page/year: 4,17,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1080 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CMROCX Current Medical Research and Opinion. (Clayton-Wray Pub. Ltd., 1a High St., Alton, Hants., UK) V.1- 1972- Volume(issue)/page/year: 4,17,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 920 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CMROCX Current Medical Research and Opinion. (Clayton-Wray Pub. Ltd., 1a High St., Alton, Hants., UK) V.1- 1972- Volume(issue)/page/year: 4,17,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 680 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- CMROCX Current Medical Research and Opinion. (Clayton-Wray Pub. Ltd., 1a High St., Alton, Hants., UK) V.1- 1972- Volume(issue)/page/year: 4,17,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- CMROCX Current Medical Research and Opinion. (Clayton-Wray Pub. Ltd., 1a High St., Alton, Hants., UK) V.1- 1972- Volume(issue)/page/year: 4,17,1976
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）:4
2.氢键供体数量:0
3.氢键受体数量:3
4.可旋转化学键数量:3
5.互变异构体数量:3
6.拓扑分子极性表面积:56.2
7.重原子数量:22
8.表面电荷:0
9.复杂度:516
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
