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Substance Name: Benzoic acid, 3,4,5-triethoxy-, 1-(4-morpholinylmethyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride
RN: 38952-88-4
InChIKey: PQIFWRMLJXIHTB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H41-N3-O10.Cl-H

Molecular Weight

  • 652.1368
 
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Names and Synonyms

Synonym

  • 2-(gamma-Morpholino-beta-(3,4,5-triethoxybenzoxy)propyl)-5,6,7-trimethoxy-1(2H)-phthalazinone

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 38952-88-4

System Generated Number

  • 0038952884

Molecular Formulas

Molecular Formula

  • C31-H41-N3-O10.Cl-H

Molecular Formula Fragments

  • C31-H41-N3-O10
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H41N3O10.ClH/c1-7-41-25-14-20(15-26(42-8-2)28(25)43-9-3)31(36)44-21(18-33-10-12-40-13-11-33)19-34-30(35)22-16-24(37-4)29(39-6)27(38-5)23(22)17-32-34;/h14-17,21H,7-13,18-19H2,1-6H3;1H

InChIKey

PQIFWRMLJXIHTB-UHFFFAOYSA-N

Smiles

CCOc1cc(cc(c1OCC)OCC)C(=O)OC(Cn2c(=O)c3cc(c(c(c3cn2)OC)OC)OC)CN4CCOCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 140mg/kg (140mg/kg)   United States Patent Document. Vol. #3894015,