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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-thienyl)-, diethyl ester
RN: 23118-58-3
InChIKey: JCHPOTOEIRYEPD-UHFFFAOYSA-N

Molecular Formula

  • C17-H21-N-O4-S

Molecular Weight

  • 335.422
 
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Names and Synonyms

Synonyms

  • 1-27-00-00383 (Beilstein Handbook Reference)
  • BRN 0288949
  • Diethyl 2,6-dimethyl-4-(alpha-thienyl)-1,4-dihydro-3,5-pyridine-dicarboxylate
  • Isocinchomeronic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha-thienyl)-, diethyl ester

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-thienyl)-, diethyl ester

Registry Numbers

CAS Registry Number

  • 23118-58-3

System Generated Number

  • 0023118583

Structure Descriptors

InChI

1S/C17H21NO4S/c1-5-21-16(19)13-10(3)18-11(4)14(17(20)22-6-2)15(13)12-8-7-9-23-12/h7-9,15,18H,5-6H2,1-4H3

InChIKey

JCHPOTOEIRYEPD-UHFFFAOYSA-N

Smiles

C1(=C(C(C(=C(N1)C)C(=O)OCC)c1cccs1)C(=O)OCC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01321,