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Substance Name: 2H-Indol-2-one, 1,3-dihydro-1-(2-(diethylamino)ethyl)-3-ethoxy-3-phenyl-, fumarate, hemihydrate (2:2:1)
RN: 42773-72-8
InChIKey: KHERZJSQCRMTKB-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O2.C4-H4-O4.1/2H2-O

Molecular Weight

  • 468.547
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 42773-72-8

System Generated Number

  • 0042773728

Molecular Formulas

Molecular Formula

  • C22-H28-N2-O2.C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C22-H28-N2-O2
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H28N2O2.C4H4O4/c1-4-23(5-2)16-17-24-20-15-11-10-14-19(20)22(21(24)25,26-6-3)18-12-8-7-9-13-18;5-3(6)1-2-4(7)8/h7-15H,4-6,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

KHERZJSQCRMTKB-WLHGVMLRSA-N

Smiles

c12[C@@](c3ccccc3)(C(N(CC[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) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Chemical and Pharmaceutical Bulletin. Vol. 21, Pg. 960, 1973.