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Substance Name: 1H-Isoindol-1-one, 2,3-dihydro-3-(2-amino-5-(1-methylethyl)phenyl)-2-(2-(diethylamino)ethyl)-,(E)-2-butenedioate (1:1)
RN: 116893-01-7
InChIKey: QGFKCFUBNZPDRD-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N3-O.C4-H4-O4

Molecular Weight

  • 481.5895
 
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Names and Synonyms

Synonym

  • 3-(2-Amino-5-isopropyllphenyl)-2-(2-diethylaminoethyl)isoindolin-1-one monofumarate

Systematic Name

  • 1H-Isoindol-1-one, 2,3-dihydro-3-(2-amino-5-(1-methylethyl)phenyl)-2-(2-(diethylamino)ethyl)-,(E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 116893-01-7

System Generated Number

  • 0116893017

Molecular Formulas

Molecular Formula

  • C23-H31-N3-O.C4-H4-O4

Molecular Formula Fragments

  • C23-H31-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H31N3O.C4H4O4/c1-5-25(6-2)13-14-26-22(18-9-7-8-10-19(18)23(26)27)20-15-17(16(3)4)11-12-21(20)24;5-3(6)1-2-4(7)8/h7-12,15-16,22H,5-6,13-14,24H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

QGFKCFUBNZPDRD-WLHGVMLRSA-N

Smiles

CCN(CC)CCN1C(c2ccccc2C1=O)c3cc(ccc3N)C(C)C.C(=C/C(=O)O)\C(=O)O

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,