Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-, ethyl 2-propoxyethyl ester
RN: 85387-26-4
InChIKey: HSCQWKLSSNWIEO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O9

Molecular Weight

  • 464.4682
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 85387-26-4

System Generated Number

  • 0085387264

Structure Descriptors

InChI

1S/C22H28N2O9/c1-3-8-31-9-10-33-22(28)20-17(13-26)23-16(12-25)19(21(27)32-4-2)18(20)14-6-5-7-15(11-14)24(29)30/h5-7,11,18,23,25-26H,3-4,8-10,12-13H2,1-2H3

InChIKey

HSCQWKLSSNWIEO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 127mg/kg (127mg/kg)   European Patent Application. Vol. #0063359,