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Substance Name: 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(3-(diethylamino)propyl)-, hydrochloride, hydrate (1:2:2)
RN: 116887-12-8
InChIKey: LMWWRHPQDXDIOC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N3-O.2Cl-H.2H2-O

Molecular Weight

  • 410.3861
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116887-12-8

System Generated Number

  • 0116887128

Molecular Formulas

Molecular Formula

  • C21-H27-N3-O.2Cl-H.2H2-O

Molecular Formula Fragments

  • C21-H27-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H27N3O.2ClH/c1-3-23(4-2)14-9-15-24-20(18-12-7-8-13-19(18)22)16-10-5-6-11-17(16)21(24)25;;/h5-8,10-13,20H,3-4,9,14-15,22H2,1-2H3;2*1H

InChIKey

LMWWRHPQDXDIOC-UHFFFAOYSA-N

Smiles

CCN(CC)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 LDLo oral 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4849441,