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Substance Name: Piperazine, 1-((2-(4-ethoxyphenyl)-5-oxo-1-phenyl-3-pyrrolidinyl)carbonyl)-, hydrochloride, cis-, hydrate (2:2:1)
RN: 38327-22-9
InChIKey: OQHQTNNFTBXQPU-BNBNXSKYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N3-O3.Cl-H.1/2H2-O

Molecular Weight

  • 429.9452
 
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Names and Synonyms

Synonym

  • cis-Phenyl-1 oxo-2 piperazinocarbonyl-4 p-ethoxyphenyl-5 pyrrolidine chlorhydrate hemihydrate

Systematic Name

  • Piperazine, 1-((2-(4-ethoxyphenyl)-5-oxo-1-phenyl-3-pyrrolidinyl)carbonyl)-, hydrochloride, cis-, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 38327-22-9

System Generated Number

  • 0038327229

Molecular Formulas

Molecular Formula

  • C23-H27-N3-O3.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C23-H27-N3-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H27N3O3.ClH/c1-2-29-19-10-8-17(9-11-19)22-20(23(28)25-14-12-24-13-15-25)16-21(27)26(22)18-6-4-3-5-7-18;/h3-11,20,22,24H,2,12-16H2,1H3;1H/t20-,22-;/m1./s1

InChIKey

OQHQTNNFTBXQPU-BNBNXSKYSA-N

Smiles

CCOc1ccc(cc1)[C@@H]2[C@@H](CC(=O)N2c3ccccc3)C(=O)N4CCNCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1500mg/kg (1500mg/kg)   French Demande Patent Document. Vol. #2097038,