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Substance Name: 1H-Isoindol-1-one, 2,3-dihydro-2-(2-(diethylamino)ethyl)-3-(2-(ethylamino)phenyl)-, hydrochloride, hydrate (5:10:4)
RN: 116870-79-2
InChIKey: LLLXIWSNTADLFO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N3-O.2Cl-H.4/5H2-O

Molecular Weight

  • 424.4129
 
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Names and Synonyms

  • 1H-Isoindol-1-one, 2,3-dihydro-2-(2-(diethylamino)ethyl)-3-(2-(ethylamino)phenyl)-, hydrochloride, hydrate (5:10:4)

Registry Numbers

CAS Registry Number

  • 116870-79-2

System Generated Number

  • 0116870792

Molecular Formulas

Molecular Formula

  • C22-H29-N3-O.2Cl-H.4/5H2-O

Molecular Formula Fragments

  • C22-H29-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H29N3O.2ClH/c1-4-23-20-14-10-9-13-19(20)21-17-11-7-8-12-18(17)22(26)25(21)16-15-24(5-2)6-3;;/h7-14,21,23H,4-6,15-16H2,1-3H3;2*1H

InChIKey

LLLXIWSNTADLFO-UHFFFAOYSA-N

Smiles

CCNc1ccccc1C2c3ccccc3C(=O)N2CCN(CC)CC.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 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4849441,