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Substance Name: 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1)
RN: 116870-77-0
InChIKey: DYMPRWUUVNVANE-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N3-O.C4-H4-O4

Molecular Weight

  • 425.4823
 
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Names and Synonyms

Synonym

  • 3-(2-Aminophenyl)-2-(2-isopropylaminoethyl)isoindolin-1-one monofumarate

Systematic Name

  • 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 116870-77-0

System Generated Number

  • 0116870770

Molecular Formulas

Molecular Formula

  • C19-H23-N3-O.C4-H4-O4

Molecular Formula Fragments

  • C19-H23-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H23N3O.C4H4O4/c1-13(2)21-11-12-22-18(16-9-5-6-10-17(16)20)14-7-3-4-8-15(14)19(22)23;5-3(6)1-2-4(7)8/h3-10,13,18,21H,11-12,20H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

DYMPRWUUVNVANE-WLHGVMLRSA-N

Smiles

CC(C)NCCN1C(c2ccccc2C1=O)c3ccccc3N.C(=C/C(=O)O)\C(=O)O

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,