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138-31-8

138-31-8结构式
138-31-8结构式

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英文名 sodium,(4-acetamidophenyl)-hydroxystibinate
英文别名 Stibenyl
N-(p-(Dihydroxystibino)phenyl)acetamide Sb-oxide,monosodium salt
p-Acetamidobenzenestibonic acid sodium salt
EINECS 205-323-2
Stibacetin
Benzenestibonic acid,p-acetamido-,sodium salt
Sodium p-acetylaminophenylantimonate
Acetyl-p-aminophenylstibinsaures natrium [German]
分子式 C8H9NNaO4Sb
分子量 327.91100
精确质量 326.94700
PSA 89.46000
LogP 1.10380
计算化学

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:4

4.可旋转化学键数量:2

5.互变异构体数量:3

6.拓扑分子极性表面积89.5

7.重原子数量:15

8.表面电荷:0

9.复杂度:265

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA8800000
CHEMICAL NAME :
Benzenestibonic acid, p-acetamido-, sodium salt
CAS REGISTRY NUMBER :
138-31-8
LAST UPDATED :
199712
DATA ITEMS CITED :
30
MOLECULAR FORMULA :
C8-H9-N-O4-Sb.Na
MOLECULAR WEIGHT :
327.92
WISWESSER LINE NOTATION :
Q-SB-QO&R DMV1 &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
133 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
480 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
283 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 81,224,1944
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
REFERENCE :
HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935 *** REVIEWS *** ACGIH TLV-TWA 0.5 mg(Sb)/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 0.5 mg(Sb)/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,15,1971 OSHA PEL (Gen Indu):8H TWA 0.5 mg(Sb)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 0.5 mg(Sb)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 0.5 mg(Sb)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 0.5 mg(Sb)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-ARAB Republic of Egypt:TWA 0.5 mg(Sb)/m3 JAN 1993 OEL-AUSTRALIA:TWA 0.5 mg(Sb)/m3 JAN 1993 OEL-AUSTRIA:TWA 0.5 mg(Sb)/m3 JAN 1993 OEL-BELGIUM:TWA 0.5 mg(Sb)/m3 JAN 1993 OEL-DENMARK:TWA 0.5 mg(Sb)/m3 JAN 1993 OEL-FINLAND:.TWA (0.5 mg(Sb)/m3) JAN 1993 OEL-FRANCE:TWA 0.5 mg(Sb)/m3 JAN 1993 OEL-GERMANY:TWA 0.5 mg(Sb)/m3 (total dust) JAN 1993 OEL-HUNGARY:STEL 0.5 mg(Sb)/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 0.5 mg(Sb)/m3 JAN 1993 OEL-THE PHILIPPINES:TWA 0.5 mg(Sb)/m3 JAN 1993 OEL-POLAND:TWA 0.5 mg(Sb)/m3 JAN 1993 OEL-RUSSIA:TWA 0.2 mg(Sb)/m3;STEL 0.5 mg(Sb)/m3 JAN 1993 OEL-SWEDEN:TWA 0.5 mg(Sb)/m3 JAN 1993 OEL-SWITZERLAND:TWA 0.5 mg(Sb)/m3 JAN 1993 OEL-TURKEY:TWA 0.5 mg(Sb)/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 0.5 mg(Sb)/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO ANTIMONY-air:10H TWA 0.5 mg(Sb)/m3 REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992

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