Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester

CAS 739-52-6 MFCD N/A

化学结构图

739-52-6
SMILES: COC(=O)c1c(I)c(CNC(C)=O)c(I)c(NC(C)=O)c1I

化学属性

Mol. Weight641.98
Mol. FormulaC13H13I3N2O4

别名和识别编码

Wiswesser Line Notation1OVR BI DI FI CMV1 E1MV1
Chemical NameBenzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester
Synonym B 15570 3-Acetamido-5-acetamidomethyl-2,4,6-triiodobenzoic acid methyl ester
Beilstein Registry Number2776128
CAS Number739-52-6
InChIKeyQFMJCLURWFGWEE-UHFFFAOYSA-N
PubChem Substance ID12923
InChIInChI=1S/C13H13I3N2O4/c1-5(19)17-4-7-9(14)8(13(21)22-3)11(16)12(10(7)15)18-6(2)20/h4H2,1-3H3,(H,17,19)(H,18,20)
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安全信息

RTECSDG0875300 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 15200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 33,302,1978

系列性分类

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