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Substance Name: 2H-Indol-2-one, 1,3-dihydro-1-(3-(diethylamino)propyl)-3-ethoxy-3-phenyl-, fumarate, hemihydrate (2:2:1)
RN: 42773-76-2
InChIKey: FINMUVPWUHAFBA-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2-O2.C4-H4-O4.1/2H2-O

Molecular Weight

  • 482.574
 
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Names and Synonyms

Synonym

  • 1,3-Dihydro-1-(3-(diethylamino)propyl)-3-ethoxy-3-phenyl-2H-indol-2-one fumarate hydrate

Systematic Name

  • 2H-Indol-2-one, 1,3-dihydro-1-(3-(diethylamino)propyl)-3-ethoxy-3-phenyl-, fumarate, hemihydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 42773-76-2

System Generated Number

  • 0042773762

Molecular Formulas

Molecular Formula

  • C23-H30-N2-O2.C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C23-H30-N2-O2
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H30N2O2.C4H4O4/c1-4-24(5-2)17-12-18-25-21-16-11-10-15-20(21)23(22(25)26,27-6-3)19-13-8-7-9-14-19;5-3(6)1-2-4(7)8/h7-11,13-16H,4-6,12,17-18H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

FINMUVPWUHAFBA-WLHGVMLRSA-N

Smiles

c12[C@@](c3ccccc3)(C(N(CCC[NH+](CC)CC)c1cccc2)=O)OCC.C(=C\C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 200mg/kg (200mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 21, Pg. 960, 1973.