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- [(2,3-二氢-1,5-二甲基-3-氧代-2-苯基-1H-吡唑-4-基)氨基]甲磺酸钠盐
[(2,3-二氢-1,5-二甲基-3-氧代-2-苯基-1H-吡唑-4-基)氨基]甲磺酸钠盐
- 基本信息
- 毒理性
- 结构与计算化学
- 上游产品
- 下游产品
[(2,3-二氢-1,5-二甲基-3-氧代-2-苯基-1H-吡唑-4-基)氨基]甲磺酸钠盐 基本信息
- 中文名称：
- [(2,3-二氢-1,5-二甲基-3-氧代-2-苯基-1H-吡唑-4-基)氨基]甲磺酸钠盐
- 中文别名：
- [(2,3-二氢-1,5-二甲基-3-氧代-2-苯基-1H-吡唑-4-基)氨基]甲磺酸钠盐;
sodium,[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonate
- 英文名称：
- Methanesulfonic acid,1-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]-, sodiumsalt (1:1)
- 英文别名：
- sodium,[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonate;
Sulphamipyrin;
Pyrazogin;
(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylamino)-methansulfonsaeure,Natriumsalz;
(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylamino)-methanesulfonic acid,sodium salt;
N-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)aminomethansulfonsaeure natriumsalz;
Melaminsulfon;
Amizole;
SULFAMIPYRINE;
1-Phenyl-2,3-dimethyl-4-amino-5-pyrazolon-N-methanesulfonsaeuren natrium [German];
Amizole (pharmaceutical);
Sulfamidopyrin-Natrium;
Methanesulfonic acid,(antipyrinylamino)-,monosodium salt
- CAS No.：
- 129-89-5
- 分 子 式：
- C12H15N3O4S.Na
- 分 子 量：
- 0
- 精确分子量：
- 319.06000
- PSA：
- 104.54000
- InChI：
- The Key: ZFDPAZDODACYOG-UHFFFAOYSA-M
- 分子结构式：
-
- SDS：
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[(2,3-二氢-1,5-二甲基-3-氧代-2-苯基-1H-吡唑-4-基)氨基]甲磺酸钠盐 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- PB1280000
- CHEMICAL NAME :
- Methanesulfonic acid, (antipyrinylamino)-, monosodium
salt
- CAS REGISTRY NUMBER :
- 129-89-5
- LAST UPDATED :
- 199512
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C12-H15-N3-O4-S.Na
- MOLECULAR WEIGHT :
- 320.35
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 5,213,1955
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5 gm/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - excitement
- REFERENCE :
- HDTU** "Pharmakologische Prufung von Analgetika, Dissertation," Herrlen, G.,
Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1933
Volume(issue)/page/year: -,-,1933
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 3500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 5,213,1955
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 4500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 5,213,1955
[(2,3-二氢-1,5-二甲基-3-氧代-2-苯基-1H-吡唑-4-基)氨基]甲磺酸钠盐 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:1
3.氢键受体数量:6
4.可旋转化学键数量:4
5.互变异构体数量:无
6.拓扑分子极性表面积101
7.重原子数量:21
8.表面电荷:0
9.复杂度:523
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
[(2,3-二氢-1,5-二甲基-3-氧代-2-苯基-1H-吡唑-4-基)氨基]甲磺酸钠盐 上游产品
[(2,3-二氢-1,5-二甲基-3-氧代-2-苯基-1H-吡唑-4-基)氨基]甲磺酸钠盐 下游产品
