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Substance Name: 1H-Isoindol-1-one, 2,3-dihydro-2-(2-(diethylamino)ethyl)-3-(4-(dimethylamino)phenyl)-, hydrochloride, hydrate (5:10:12)
RN: 116870-86-1
InChIKey: YRAYHXDEDLYTKH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N3-O.2Cl-H.12/5H2-O

Molecular Weight

  • 424.4129
 
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Names and Synonyms

Synonym

  • 2-(2-Diethylaminoethyl)-3-(4-dimethylaminophenyl)isoindolin-1-one HCl hydrate (5:10:12)

Systematic Name

  • 1H-Isoindol-1-one, 2,3-dihydro-2-(2-(diethylamino)ethyl)-3-(4-(dimethylamino)phenyl)-, hydrochloride, hydrate (5:10:12)

Registry Numbers

CAS Registry Number

  • 116870-86-1

System Generated Number

  • 0116870861

Molecular Formulas

Molecular Formula

  • C22-H29-N3-O.2Cl-H.12/5H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

YRAYHXDEDLYTKH-UHFFFAOYSA-N

Smiles

CCN(CC)CCN1C(c2ccccc2C1=O)c3ccc(cc3)N(C)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 50mg/kg (50mg/kg)   United States Patent Document. Vol. #4849441,
mouse LDLo oral 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4849441,