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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 1-(1-piperidinylmethyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride
RN: 38952-85-1
InChIKey: SURWLLPUTKGPRM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H37-N3-O9.Cl-H

Molecular Weight

  • 608.0842
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 38952-85-1

System Generated Number

  • 0038952851

Molecular Formulas

Molecular Formula

  • C29-H37-N3-O9.Cl-H

Molecular Formula Fragments

  • C29-H37-N3-O9
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H37N3O9.ClH/c1-35-22-12-18(13-23(36-2)26(22)39-5)29(34)41-19(16-31-10-8-7-9-11-31)17-32-28(33)20-14-24(37-3)27(40-6)25(38-4)21(20)15-30-32;/h12-15,19H,7-11,16-17H2,1-6H3;1H

InChIKey

SURWLLPUTKGPRM-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)C(=O)OC(Cn2c(=O)c3cc(c(c(c3cn2)OC)OC)OC)CN4CCCCC4.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,