Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 1-((4-methyl-1-piperazinyl)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, hydrochloride
RN: 38952-87-3
InChIKey: YWXOTYJCPCKTJI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H38-N4-O9.x-Cl-H

Molecular Weight

  • 623.0991
 
* 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-((4-methyl-1-piperazinyl)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 38952-87-3

System Generated Number

  • 0038952873

Molecular Formulas

Molecular Formula

  • C29-H38-N4-O9.x-Cl-H

Molecular Formula Fragments

  • C29-H38-N4-O9
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H38N4O9.ClH/c1-31-8-10-32(11-9-31)16-19(42-29(35)18-12-22(36-2)26(40-6)23(13-18)37-3)17-33-28(34)20-14-24(38-4)27(41-7)25(39-5)21(20)15-30-33;/h12-15,19H,8-11,16-17H2,1-7H3;1H

InChIKey

YWXOTYJCPCKTJI-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)CC(Cn2c(=O)c3cc(c(c(c3cn2)OC)OC)OC)OC(=O)c4cc(c(c(c4)OC)OC)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 120mg/kg (120mg/kg)   United States Patent Document. Vol. #3894015,