Cinnamic acid,3-butyramido-alpha-ethyl-2,4,6-triiodo-, monosodiumsalt

CAS 1923-76-8 MFCD N/A

化学结构图

1923-76-8
SMILES: CCCC(=O)Nc1c(I)cc(I)c(C=C(CC)C(=O)[O-])c1I.[Na+]

化学属性

Mol. Weight661.00
Mol. FormulaC15H15I3NNaO3

别名和识别编码

Wiswesser Line NotationQVY2&U1R BI DI FI CMV3 &-NA-
Chemical NameBunamiodyl
Synonym alpha-Aethyl-beta-(2,4,6-trijod-3-(n)-butyrylaminophenyl)acrylsaeure
CAS Number1923-76-8
Chemicalbook IDCB41178175
PubChem Substance ID23665574
InChIInChI=1S/C15H16I3NO3.Na/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22;/h6-7H,3-5H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1/b8-6+;
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安全信息

RTECSGD8430000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2800 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   14,232,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2690 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 13,997,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 418 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 13,997,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 480 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   14,232,1969

系列性分类

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