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Substance Name: 1H-Isoindol-1-one, 2,3-dihydro-3-(2-amino-3,6-dimethylphenyl)-2-(2-(diethylamino)ethyl)-, dihydrochloride
RN: 116870-85-0
InChIKey: PNSHUNUDNIPOIU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N3-O.2Cl-H

Molecular Weight

  • 424.4129
 
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Names and Synonyms

Synonym

  • 3-(2-Amino-3,6-dimethylphenyl)-2-(2-diethylaminoethyl)isoindolin-1-one dihydrochloride

Systematic Name

  • 1H-Isoindol-1-one, 2,3-dihydro-3-(2-amino-3,6-dimethylphenyl)-2-(2-(diethylamino)ethyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 116870-85-0

System Generated Number

  • 0116870850

Molecular Formulas

Molecular Formula

  • C22-H29-N3-O.2Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

PNSHUNUDNIPOIU-UHFFFAOYSA-N

Smiles

CCN(CC)CCN1C(c2ccccc2C1=O)c3c(ccc(c3N)C)C.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,