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Substance Name: 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(3-(dibutylamino)propyl)-, hydrochloride, hydrate (1:1:2)
RN: 116870-76-9
InChIKey: SRYFERNIQDFVFX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H35-N3-O.Cl-H.2H2-O

Molecular Weight

  • 430.0324
 
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Names and Synonyms

Synonym

  • 2-(Di-n-butylaminopropyl)-3-(2-aminophenyl)isoindolin-1-one hydrochloride dihydrate

Systematic Name

  • 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(3-(dibutylamino)propyl)-, hydrochloride, hydrate (1:1:2)

Registry Numbers

CAS Registry Number

  • 116870-76-9

System Generated Number

  • 0116870769

Molecular Formulas

Molecular Formula

  • C25-H35-N3-O.Cl-H.2H2-O

Molecular Formula Fragments

  • C25-H35-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C25H35N3O.ClH/c1-3-5-16-27(17-6-4-2)18-11-19-28-24(22-14-9-10-15-23(22)26)20-12-7-8-13-21(20)25(28)29;/h7-10,12-15,24H,3-6,11,16-19,26H2,1-2H3;1H

InChIKey

SRYFERNIQDFVFX-UHFFFAOYSA-N

Smiles

CCCCN(CCCC)CCCN1C(c2ccccc2C1=O)c3ccccc3N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 25mg/kg (25mg/kg)   United States Patent Document. Vol. #4849441,
mouse LDLo oral 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4849441,