3,5-Diamino-2,4,6-Triiodobenzoic Acid 3,5-二氨基-2,4,6-三碘苯甲酸

CAS 5505-16-8 MFCD01661009

化学结构图

5505-16-8
SMILES: Nc1c(I)c(N)c(I)c(C(=O)O)c1I

化学属性

Mol. FormulaC7 H5 I3 N2 O2
Mol. Weight529.84
Boiling Point
Flash Point-
Melting PointNo Data Available

别名和识别编码

Chemical Name3,5-Diamino-2,4,6-Triiodobenzoic Acid
CAS Number5505-16-8
Chemical Name Translation3,5-二氨基-2,4,6-三碘苯甲酸
InChIKeyGOQCZMZLABPEME-UHFFFAOYSA-N
Wiswesser Line NotationZR CZ BI DI FI EVQ
Synonym 3,5-Diamino-2,4,6-triiodobenzoic Acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number1466919
PubChem Substance ID21680
InChIInChI=1S/C7H5I3N2O2/c8-2-1(7(13)14)3(9)6(12)4(10)5(2)11/h11-12H2,(H,13,14)
Canonical SMILES-
MDL Number-
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分类

  • Amines
  • Aromatics
  • Metabolites & Impurities

产品应用

  • Metabolite of Diatrizoate with mutagenic and cytotoxic properties

相关文献及参考

  • Kalsch, W., et al.: Sci. Total Environ., 225, 143 (1999),
  • Parkesh, R., et al.: Org. Biomol. Chem., 4, 3611 (2006),

安全信息

RTECSDG6260000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1300 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: 116,394,1956

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   PWPSA8 Proceedings of the Western Pharmacology Society.  (Univ. of
   California Dept. of Pharmacology, Los Angeles, CA 90024)  V.1-    1958-
   Volume(issue)/page/year: 23,249,1980

TYPE OF TEST            : Micronucleus test
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 10 mg/L
REFERENCE :
   RADLAX Radiology.  (Radiological Soc. of North America, 20th & Northampton
   Sts., Easton, PA 18042) V.1-    1923-  Volume(issue)/page/year: 129,199,1978

Storage condition +4°C 4 4°C 4℃

系列性分类

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