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Substance Name: 1H-Isoindol-1-one, 2,3-dihydro-3-(2-amino-3,5-dimethylphenyl)-2-(2-(diethylamino)ethyl)-, dihydrochloride
RN: 116870-89-4
InChIKey: VLLZMCLMDVFNBS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N3-O.2Cl-H.2H2-O

Molecular Weight

  • 424.4129
 
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Names and Synonyms

Synonym

  • 3-(2-Amino-3,5-dimethylphenyl)-2-(2-diethylaminoethyl)isoindolin-1-one dihydrochloride 2H2O

Systematic Name

  • 1H-Isoindol-1-one, 2,3-dihydro-3-(2-amino-3,5-dimethylphenyl)-2-(2-(diethylamino)ethyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 116870-89-4

System Generated Number

  • 0116870894

Molecular Formulas

Molecular Formula

  • C22-H29-N3-O.2Cl-H.2H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

VLLZMCLMDVFNBS-UHFFFAOYSA-N

Smiles

CCN(CC)CCN1C(c2ccccc2C1=O)c3cc(cc(c3N)C)C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4849441,
mouse LDLo oral 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4849441,