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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 1-(((3-methoxypropyl)methylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride
RN: 38952-80-6
InChIKey: SZEGNBNYMWLZML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H39-N3-O10.Cl-H

Molecular Weight

  • 626.099
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 38952-80-6

System Generated Number

  • 0038952806

Molecular Formulas

Molecular Formula

  • C29-H39-N3-O10.Cl-H

Molecular Formula Fragments

  • C29-H39-N3-O10
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H39N3O10.ClH/c1-31(10-9-11-35-2)16-19(42-29(34)18-12-22(36-3)26(40-7)23(13-18)37-4)17-32-28(33)20-14-24(38-5)27(41-8)25(39-6)21(20)15-30-32;/h12-15,19H,9-11,16-17H2,1-8H3;1H

InChIKey

SZEGNBNYMWLZML-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   United States Patent Document. Vol. #3894015,