cas号： 129-89-5 ，名称： [(2,3-二氢-1,5-二甲基-3-氧代-2-苯基-1H-吡唑-4-基)氨基]甲磺酸钠盐的性质/作用/用途-化学加百科

[(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
CAS号	129-89-5	分子式	C12H14N3NaO4S
分子量	319.31200	精确质量	319.06000
PSA	104.54000	LogP	1.55280

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等价的CAS号：

129-89-5,72665-65-7

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基本信息合成路线毒性结构与计算数据上下游

基本信息展开↓

CAS号：: 129-89-5
3D弹球模型：: 立即前往扯扯看
分子式：: C12H14N3NaO4S
分子量：: 319.31200
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
英文名称：: sodium,[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonate
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
精确分子量/精确质量：: 319.06000
极性分子表面积/PSA：: 104.54000
油水分配系数/LogP：: LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：: The Key: ZFDPAZDODACYOG-UHFFFAOYSA-M

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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

毒理性展开↓

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

分子结构与计算化学数据展开↓

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

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