2H-1-Benzopyran-3-carboxylic acid,8-(3-(hydroxymercuri)-2-methoxypropyl)-2-oxo-, sodiumsalt, compd. with theophylline (1:1)

CAS 8018-15-3 MFCD N/A

化学结构图

8018-15-3
SMILES: COC(C[Hg])Cc1cccc2cc(C(=O)[O-])c(=O)oc12.Cn1c(=O)c2[nH]cnc2n(C)c1=O.O.[Na+]

化学属性

Mol. Weight681.04
Mol. FormulaC14H13HgO6.C7H8N4O2.Na

别名和识别编码

Wiswesser Line NotationT66 BOVJ DVQ J1YO1&1-HG-Q &-NA- &622 T56 BM DN FNVNVJF H &621
Chemical Name2H-1-Benzopyran-3-carboxylic acid,8-(3-(hydroxymercuri)-2-methoxypropyl)-2-oxo-, sodiumsalt, compd. with theophylline (1:1)
Synonym 8-(gamma-Hydroxymercuri-beta-methoxypropyl)-3-coumarincarboxylic acid Cumertilin sodium
CAS Number8018-15-3
PubChem Substance ID23675770
InChIInChI=1S/C14H13O5.C7H8N4O2.Hg.Na.H2O/c1-8(18-2)6-9-4-3-5-10-7-11(13(15)16)14(17)19-12(9)10;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;;;/h3-5,7-8H,1,6H2,2H3,(H,15,16);3H,1-2H3,(H,8,9);;;1H2/q;;;+1;/p-1
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安全信息

RTECSDJ2360000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 809 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: 105,336,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Kidney, Ureter, Bladder - changes in tubules (including acute renal failure,
   acute tubular necrosis)
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: 105,336,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 282 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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 44 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: 105,336,1952

TYPE OF TEST

系列性分类

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