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Substance Name: 2H-Indol-2-one, 1,3-dihydro-3-ethoxy-3-phenyl-1-(2-piperidinoethyl)-, fumarate, hemihydrate (2:2:1)
RN: 42773-73-9
InChIKey: CCCYTHVWOVTVSU-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-N2-O2.C4-H4-O4.1/2H2-O

Molecular Weight

  • 480.558
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 42773-73-9

System Generated Number

  • 0042773739

Molecular Formulas

Molecular Formula

  • C23-H28-N2-O2.C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C23-H28-N2-O2
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H28N2O2.C4H4O4/c1-2-27-23(19-11-5-3-6-12-19)20-13-7-8-14-21(20)25(22(23)26)18-17-24-15-9-4-10-16-24;5-3(6)1-2-4(7)8/h3,5-8,11-14H,2,4,9-10,15-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

CCCYTHVWOVTVSU-WLHGVMLRSA-N

Smiles

c12[C@@](c3ccccc3)(C(N(CC[NH+]3CCCCC3)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) BEHAVIORAL: ATAXIA Chemical and Pharmaceutical Bulletin. Vol. 21, Pg. 960, 1973.