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Substance Name: 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-(diethylamino)ethyl)-, hydrochloridehydrate (4:8:1)
RN: 116870-74-7
InChIKey: RQTKEWBAYCYJJP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N3-O.2Cl-H.1/4H2-O

Molecular Weight

  • 396.3593
 
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Names and Synonyms

Synonym

  • 3-(2-Aminophenyl)-2-(2-diethylaminoethyl)isoindolin-1-one hydrochloride hydrate (4:8:1)

Systematic Name

  • 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-(diethylamino)ethyl)-, hydrochloridehydrate (4:8:1)

Registry Numbers

CAS Registry Number

  • 116870-74-7

System Generated Number

  • 0116870747

Molecular Formulas

Molecular Formula

  • C20-H25-N3-O.2Cl-H.1/4H2-O

Molecular Formula Fragments

  • C20-H25-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H25N3O.2ClH/c1-3-22(4-2)13-14-23-19(17-11-7-8-12-18(17)21)15-9-5-6-10-16(15)20(23)24;;/h5-12,19H,3-4,13-14,21H2,1-2H3;2*1H

InChIKey

RQTKEWBAYCYJJP-UHFFFAOYSA-N

Smiles

CCN(CC)CCN1C(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,