Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 1-((cyclohexylmethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2-(1H)-phthalazinyl)ethyl ester, monohydrochloride
RN: 38952-83-9
InChIKey: STIHMYUPNBQRPE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H41-N3-O9.Cl-H

Molecular Weight

  • 636.1378
 
* 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

  • Benzoic acid, 3,4,5-trimethoxy-, 1-((cyclohexylmethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2-(1H)-phthalazinyl)ethyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 38952-83-9

System Generated Number

  • 0038952839

Molecular Formulas

Molecular Formula

  • C31-H41-N3-O9.Cl-H

Molecular Formula Fragments

  • C31-H41-N3-O9
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H41N3O9.ClH/c1-33(20-11-9-8-10-12-20)17-21(43-31(36)19-13-24(37-2)28(41-6)25(14-19)38-3)18-34-30(35)22-15-26(39-4)29(42-7)27(40-5)23(22)16-32-34;/h13-16,20-21H,8-12,17-18H2,1-7H3;1H

InChIKey

STIHMYUPNBQRPE-UHFFFAOYSA-N

Smiles

CN(CC(Cn1c(=O)c2cc(c(c(c2cn1)OC)OC)OC)OC(=O)c3cc(c(c(c3)OC)OC)OC)C4CCCCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   United States Patent Document. Vol. #3894015,