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Substance Name: Morpholine, 4-((4-((4-phenyl-1-piperazinyl)acetyl)phenyl)sulfonyl)-, (Z)-2-butenedioate, hydrate (2:2:3)
RN: 58722-59-1
InChIKey: CEBQARVCBVPMGG-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N3-O4-S.C4-H4-O4.3/2H2-O

Molecular Weight

  • 545.6099
 
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Names and Synonyms

Synonym

  • 4-((4-((4-Phenyl-1-piperazinyl)acetyl)phenyl)sulfonyl)morpholine maleate hydrate (2:2:3)

Systematic Name

  • Morpholine, 4-((4-((4-phenyl-1-piperazinyl)acetyl)phenyl)sulfonyl)-, (Z)-2-butenedioate, hydrate (2:2:3)

Registry Numbers

CAS Registry Number

  • 58722-59-1

System Generated Number

  • 0058722591

Molecular Formulas

Molecular Formula

  • C22-H27-N3-O4-S.C4-H4-O4.3/2H2-O

Molecular Formula Fragments

  • C22-H27-N3-O4-S
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H27N3O4S.C4H4O4/c26-22(18-23-10-12-24(13-11-23)20-4-2-1-3-5-20)19-6-8-21(9-7-19)30(27,28)25-14-16-29-17-15-25;5-3(6)1-2-4(7)8/h1-9H,10-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

CEBQARVCBVPMGG-WLHGVMLRSA-N

Smiles

c1ccc(cc1)N2CCN(CC2)CC(=O)c3ccc(cc3)S(=O)(=O)N4CCOCC4.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 2gm/kg (2000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 3895, 1975.