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Substance Name: 1H-Isoindol-1-one, 2,3-dihydro-3-(2-amino-5-fluorophenyl)-2-(2-(diethylamino)ethyl)-, hydrochloride, hydrate (2:4:3)
RN: 116870-92-9
InChIKey: CKKYJURAWFFQBJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-F-N3-O.2Cl-H

Molecular Weight

  • 414.3494
 
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Names and Synonyms

Synonym

  • 3-(2-Amino-5-fluorophenyl)-2-(2-diethylaminoethyl)isoindolin-1-one HCl hydrate (2:4:3)

Systematic Name

  • 1H-Isoindol-1-one, 2,3-dihydro-3-(2-amino-5-fluorophenyl)-2-(2-(diethylamino)ethyl)-, hydrochloride, hydrate (2:4:3)

Registry Numbers

CAS Registry Number

  • 116870-92-9

System Generated Number

  • 0116870929

Molecular Formulas

Molecular Formula

  • C20-H24-F-N3-O.2Cl-H

Molecular Formula Fragments

  • C20-H24-F-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24FN3O.2ClH/c1-3-23(4-2)11-12-24-19(17-13-14(21)9-10-18(17)22)15-7-5-6-8-16(15)20(24)25;;/h5-10,13,19H,3-4,11-12,22H2,1-2H3;2*1H

InChIKey

CKKYJURAWFFQBJ-UHFFFAOYSA-N

Smiles

CCN(CC)CCN1C(c2ccccc2C1=O)c3cc(ccc3N)F.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 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4849441,