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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 1-(1-pyrrolidinylmethyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride
RN: 38952-84-0
InChIKey: HQMNIQHZGUIYLO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H35-N3-O9.Cl-H

Molecular Weight

  • 594.0574
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 38952-84-0

System Generated Number

  • 0038952840

Molecular Formulas

Molecular Formula

  • C28-H35-N3-O9.Cl-H

Molecular Formula Fragments

  • C28-H35-N3-O9
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H35N3O9.ClH/c1-34-21-11-17(12-22(35-2)25(21)38-5)28(33)40-18(15-30-9-7-8-10-30)16-31-27(32)19-13-23(36-3)26(39-6)24(37-4)20(19)14-29-31;/h11-14,18H,7-10,15-16H2,1-6H3;1H

InChIKey

HQMNIQHZGUIYLO-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)C(=O)OC(Cn2c(=O)c3cc(c(c(c3cn2)OC)OC)OC)CN4CCCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 67500ug/kg (67.5mg/kg)   United States Patent Document. Vol. #3894015,