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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(methyl(phenylmethyl)amino)ethyl) 3-(2-propoxyethyl) ester
RN: 85387-23-1
InChIKey: ZYCGRGULEMPHTI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H37-N3-O8

Molecular Weight

  • 567.6353
 
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Names and Synonyms

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-, 5-(2-(methyl(phenylmethyl)amino)ethyl) 3-(2-propoxyethyl) ester

Registry Numbers

CAS Registry Number

  • 85387-23-1

System Generated Number

  • 0085387231

Structure Descriptors

InChI

1S/C30H37N3O8/c1-4-14-39-16-17-41-30(36)28-25(20-34)31-21(2)26(27(28)23-11-8-12-24(18-23)33(37)38)29(35)40-15-13-32(3)19-22-9-6-5-7-10-22/h5-12,18,27,31,34H,4,13-17,19-20H2,1-3H3

InChIKey

ZYCGRGULEMPHTI-UHFFFAOYSA-N

Smiles

CCCOCCOC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN(C)Cc3ccccc3)C)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 168mg/kg (168mg/kg)   European Patent Application. Vol. #0063359,