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729-99-7

729-99-7结构式
729-99-7结构式

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中文名 磺胺二甲唑
英文名 sulfamoxole
中文别名 磺胺二甲恶唑
磺胺噁唑
英文别名 SULFAMOXOLE
Sulfamoxol
4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide
Sulphamoxole
Sulfavigor
sulphamoxazole
Oxasulfa
Sulfmidil
Sulfadimethyloxazole
Sulfamoxolum
Justamil
sulfisoxazole
Sulfuno
密度 1.411g/cm3
沸点 481ºC at 760 mmHg
熔点 197-199℃
分子式 C11H13N3O3S
分子量 267.30400
闪点 244.7ºC
精确质量 267.06800
PSA 106.60000
LogP 3.40940
折射率 1.626
储存条件 库房通风低温干燥
计算化学

1.疏水参数计算参考值(XlogP):1.3

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:3

5.互变异构体数量:2

6.拓扑分子极性表面积:107

7.重原子数量:18

8.表面电荷:0

9.复杂度:374

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:1

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WO9150000
CHEMICAL NAME :
Sulfanilamide, N(sup 1)-(4,5-dimethyl-2-oxazolyl)-
CAS REGISTRY NUMBER :
729-99-7
LAST UPDATED :
199706
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C11-H13-N3-O3-S
MOLECULAR WEIGHT :
267.33
WISWESSER LINE NOTATION :
T5N COJ BMSWR DZ& D1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>12500 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: 26,634,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 26,634,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
15200 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: 10,612,1960
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 26,634,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1285 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: 10,612,1960
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/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: 10,612,1960 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1525 mg/kg/9W-C
TOXIC EFFECTS :
Behavioral - food intake (animal) Endocrine - changes in pituitary weight Endocrine - changes in thyroid weight
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 10,617,1960

符号 GHS07
GHS07
信号词 Warning
危害声明 H317
警示性声明 P280
个人防护装备 dust mask type N95 (US);Eyeshields;Faceshields;Gloves
危害码 (欧洲) Xi
风险声明 (欧洲) 43
安全声明 (欧洲) 36/37
危险品运输编码 NONH for all modes of transport
RTECS号 WO9150000

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