Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(3-(dimethylamino)propyl)-, hydrochloride,hydrate (1:2:2)
RN: 116870-75-8
InChIKey: TWCRUTAUFUMAHS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N3-O.2Cl-H.2H2-O

Molecular Weight

  • 382.3325
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 3-(2-Aminophenyl)-2-(2-dimethylaminopropyl)isoindolin-1-one dihydrochloride dihydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116870-75-8

System Generated Number

  • 0116870758

Molecular Formulas

Molecular Formula

  • C19-H23-N3-O.2Cl-H.2H2-O

Molecular Formula Fragments

  • C19-H23-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H23N3O.2ClH/c1-21(2)12-7-13-22-18(16-10-5-6-11-17(16)20)14-8-3-4-9-15(14)19(22)23;;/h3-6,8-11,18H,7,12-13,20H2,1-2H3;2*1H

InChIKey

TWCRUTAUFUMAHS-UHFFFAOYSA-N

Smiles

CN(C)CCCN1C(c2ccccc2C1=O)c3ccccc3N.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4849441,
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4849441,