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Substance Name: 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester
RN: 2351-95-3
InChIKey: KHYYVUUKMPRHDX-UHFFFAOYSA-N

Molecular Formulas

  • C17-H26-N-O7
  • C17-H27-N-O7

Molecular Weight

  • 357.4003
 
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Names and Synonyms

Synonym

  • 3-Isobutyl-5-oxo-2,2,4-pyrrolidinetricarboxylic acid triethyl ester

Systematic Name

  • 2,2,4-Pyrrolidinetricarboxylic acid, 3-isobutyl-5-oxo-, triethyl ester

Registry Numbers

CAS Registry Number

  • 2351-95-3

System Generated Number

  • 0002351953

Structure Descriptors

InChI

1S/C17H27NO7/c1-6-23-14(20)12-11(9-10(4)5)17(18-13(12)19,15(21)24-7-2)16(22)25-8-3/h10-12H,6-9H2,1-5H3,(H,18,19)

InChIKey

KHYYVUUKMPRHDX-UHFFFAOYSA-N

Smiles

CCOC(=O)C1C(CC(C)C)C(NC1=O)(C(=O)OCC)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02966,