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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester
RN: 105951-93-7
InChIKey: IQLXAOMZBDCTBN-UHFFFAOYSA-N

Molecular Formula

  • C16-H15-F-N2-O6

Molecular Weight

  • 350.3005
 
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Names and Synonyms

Synonym

  • TEI-9071

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-fluoro-5-nitrophenyl)-, monomethyl ester

Registry Numbers

CAS Registry Number

  • 105951-93-7

System Generated Number

  • 0105951937

Structure Descriptors

InChI

1S/C16H15FN2O6/c1-7-12(15(20)21)14(13(8(2)18-7)16(22)25-3)10-6-9(19(23)24)4-5-11(10)17/h4-6,14,18H,1-3H3,(H,20,21)

InChIKey

IQLXAOMZBDCTBN-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OC)c2cc(ccc2F)[N+](=O)[O-])C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 2gm/kg (2000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 26, Pg. 2223, 1992.