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Substance Name: 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester
RN: 2445-91-2
InChIKey: GHUDFDQSAFRDJZ-UHFFFAOYSA-N

Molecular Formula

  • C13-H21-N-O5

Molecular Weight

  • 271.311
 
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Names and Synonyms

Synonyms

  • 5-22-07-00145 (Beilstein Handbook Reference)
  • BRN 0486017
  • Diethyl 3-isopropyl-5-oxo-2,2-pyrrolidinedicarboxylate
  • NSC 82080

Systematic Name

  • 2,2-Pyrrolidinedicarboxylic acid, 3-isopropyl-5-oxo-, diethyl ester

Registry Numbers

CAS Registry Number

  • 2445-91-2

System Generated Number

  • 0002445912

Structure Descriptors

InChI

1S/C13H21NO5/c1-5-18-11(16)13(12(17)19-6-2)9(8(3)4)7-10(15)14-13/h8-9H,5-7H2,1-4H3,(H,14,15)

InChIKey

GHUDFDQSAFRDJZ-UHFFFAOYSA-N

Smiles

C1([C@@H](CC(N1)=O)C(C)C)(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#02490,