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Substance Name: 1-Propene-1,2,3-tricarboxylic acid, tributyl ester
RN: 7568-58-3
InChIKey: BANLNYYTSYHBAP-SQFISAMPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H30-O6

Molecular Weight

  • 342.429
 
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Names and Synonyms

Synonyms

  • Aconitic acid, tributyl ester
  • AI3-00999
  • EINECS 231-468-6
  • Tributyl aconitate

Systematic Names

  • 1-Propene-1,2,3-tricarboxylic acid, tributyl ester
  • Tributyl prop-1-ene-1,2,3-tricarboxylate

Registry Numbers

CAS Registry Number

  • 7568-58-3

System Generated Number

  • 0007568583

Structure Descriptors

InChI

1S/C18H30O6/c1-4-7-10-22-16(19)13-15(18(21)24-12-9-6-3)14-17(20)23-11-8-5-2/h13H,4-12,14H2,1-3H3/b15-13-

InChIKey

BANLNYYTSYHBAP-SQFISAMPSA-N

Smiles

C(=C/C(=O)OCCCC)(\C(=O)OCCCC)CC(=O)OCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 144, 1954.