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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(4-(5-nitro-2-furanyl)-1,3-butadienyl)-, diethyl ester
RN: 71160-16-2
InChIKey: VHJAGVNLXNKGQO-FIFLTTCUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N2-O7

Molecular Weight

  • 416.4276
 
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Names and Synonyms

Synonym

  • BRN 1185951

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71160-16-2

System Generated Number

  • 0071160162

Structure Descriptors

InChI

1S/C21H24N2O7/c1-5-28-20(24)18-13(3)22-14(4)19(21(25)29-6-2)16(18)10-8-7-9-15-11-12-17(30-15)23(26)27/h7-12,16,22H,5-6H2,1-4H3/b9-7+,10-8+

InChIKey

VHJAGVNLXNKGQO-FIFLTTCUSA-N

Smiles

CCOC(=O)C1=C(NC(=C(C1/C=C/C=C/c2ccc(o2)[N+](=O)[O-])C(=O)OCC)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 9gm/kg (9000mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 611, 1979.