Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2,3-dichlorophenyl)-2,6-dimethyl-, 2-((4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)methylamino)-1-methylethyl 2-propoxyethyl ester, hydrochloride, hydrate
RN: 102336-20-9
InChIKey: DIVIGTNOKFOIAA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H53-Cl2-N3-O7.x-Cl-H.H2-O

Molecular Weight

  • 813.2544
 
* 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-4-(2,3-dichlorophenyl)-2,6-dimethyl-, 2-((4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl)methylamino)-1-methylethyl 2-propoxyethyl ester, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 102336-20-9

System Generated Number

  • 0102336209

Molecular Formulas

Molecular Formula

  • C40-H53-Cl2-N3-O7.x-Cl-H.H2-O

Molecular Formula Fragments

  • C40-H53-Cl2-N3-O7
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C40H53Cl2N3O7.ClH.H2O/c1-10-19-50-20-21-51-38(46)34-27(5)44-28(6)35(36(34)30-13-11-14-31(41)37(30)42)39(47)52-26(4)23-45(7)18-12-17-40(24-43,25(2)3)29-15-16-32(48-8)33(22-29)49-9;;/h11,13-16,22,25-26,36,44H,10,12,17-21,23H2,1-9H3;1H;1H2

InChIKey

DIVIGTNOKFOIAA-UHFFFAOYSA-N

Smiles

CCCOCCOC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OC(C)CN(C)CCCC(C#N)(c3ccc(c(c3)OC)OC)C(C)C)C)C.O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4634712,