美拉鲁利

  • 基本信息
  • 毒理性
  • 结构与计算化学

美拉鲁利 基本信息

中文名称:
美拉鲁利 
中文别名:
美拉鲁利;
[3-[3-(3-羧基丙酰基)脲基]-2-甲氧基丙基]羟基汞(II) 
英文名称:
Mercury,[3-[[[(3-carboxy-1-oxopropyl)amino]carbonyl]amino]-2-methoxypropyl]hydroxy-
英文别名:
Mercury,[3-[[[(3-carboxy-1-oxopropyl)amino]carbonyl]amino]-2-methoxypropyl]hydroxy-;
Mercury,[3-[3-(3-carboxypropionyl)ureido]-2-methoxypropyl]hydroxy- (8CI);
Succinamicacid, N-[[3-(hydroxymercuri)-2-methoxypropyl]carbamoyl]- (6CI);
Methoxyhydroxymercuripropylsuccinylurea;
Methoxyoximercuripropylsuccinyl urea;
N-[[3-(Hydroxymercuri)-2-methoxypropyl]-carbamoyl]succinamic acid;
NSC 19910 
CAS No.:
140-20-5
分 子 式:
C9H16HgN2O6
分 子 量:
448.86
精确分子量:
450.07100
PSA:
124.96000
EINECS:
OV8575000
安全术语:
A human poison by intramuscular route. Poison experimentally by subcutaneous route. When heated to decomposition it emits very toxic fumes of Hg and NOx. See also MERCURY COMPOUNDS, INORGANIC; MERCURY COMPOUNDS, ORGANIC.
分子结构式:
SDS:
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美拉鲁利 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OV8575000
CHEMICAL NAME :
Mercury, (3-(3-(3-carboxypropionyl)ureido)-2-methoxypropyl)hyd roxy-
CAS REGISTRY NUMBER :
140-20-5
LAST UPDATED :
199712
DATA ITEMS CITED :
22
MOLECULAR FORMULA :
C9-H16-Hg-N2-O6
MOLECULAR WEIGHT :
448.86
WISWESSER LINE NOTATION :
QV2VMVM1YO1&1-HG-Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Human
DOSE/DURATION :
314 mg/kg/18D
TOXIC EFFECTS :
Behavioral - irritability
REFERENCE :
JAMAAP JAMA, Journal of the American Medical Association. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1883- Volume(issue)/page/year: 147,377,1951
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
63 mg/kg
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971 *** REVIEWS *** ACGIH TLV-TWA 0.01 mg(Hg)/m3; STEL 0.03 mg/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 0.05 mg(Hg)/m3 DTLWS* "Documentation of the Threshold Limit Values for Substances in Workroom Air," Supplements. For publisher information, see 85INA8. Volume(issue)/page/year: 3,22,1973 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 0.05 mg(Hg)/m3;Skin JAN 1993 OEL-BELGIUM:TWA 0.05 mg(Hg)/m3;Skin JAN 1993 OEL-DENMARK:TWA 0.05 mg(Hg)/m3 JAN 1993 OEL-FINLAND:TWA 0.05 mg(Hg)/m3 JAN 1993 OEL-FRANCE:TWA 0.05 mg(Hg)/m3 JAN 1993 OEL-GERMANY:TWA 0.01 ppm (0.1 mg(Hg)/m3) JAN 1993 OEL-HUNGARY:TWA 0.02 mg(Hg)/m3;STEL 0.04 mg(Hg)/m3 JAN 1993 OEL-JAPAN:TWA 0.05 mg(Hg)/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 0.05 mg(Hg)/m3;STEL 0.15 mg(Hg)/m3 JAN 1993 OEL-THE PHILIPPINES:TWA 0.05 mg(Hg)/m3 JAN 1993 OEL-POLAND:TWA 0.01 mg(Hg)/m3 JAN 1993 OEL-RUSSIA:TWA 0.05 mg(Hg)/m3;STEL 0.01 mg(Hg)/m3 JAN 1993 OEL-SWEDEN:TWA 0.05 mg(Hg)/m3 JAN 1993 OEL-THAILAND:STEL 0.05 mg(Hg)/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 0.05 mg(Hg)/m3;STEL 0.15 mg(Hg)/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 MERCURY, ORGANO-air:TWA 0.01 mg/m3;STEL 0.03 mg/m3 (Sk) 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

美拉鲁利 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:4

3.氢键受体数量:6

4.可旋转化学键数量:7

5.互变异构体数量:5

6.拓扑分子极性表面积106

7.重原子数量:18

8.表面电荷:0

9.复杂度:285

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:2

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