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Substance Name: Piperazine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methylpropyl)-4-(2-methoxyphenyl)-, (E)-2-butenedioate (1:1)
RN: 153804-52-5
InChIKey: SOGCBACRRQACFZ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H32-N2-O2-S.C4-H4-O4

Molecular Weight

  • 528.6664
 
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Names and Synonyms

Synonym

  • 8-((3-(4-(2-Methoxyphenyl)piperazin-1-yl)-2-methylpropyl)oxy)thiochroman fumarate

Systematic Name

  • Piperazine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methylpropyl)-4-(2-methoxyphenyl)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 153804-52-5

System Generated Number

  • 0153804525

Molecular Formulas

Molecular Formula

  • C24-H32-N2-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C24-H32-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H32N2O2S.C4H4O4/c1-19(18-28-23-11-5-7-20-8-6-16-29-24(20)23)17-25-12-14-26(15-13-25)21-9-3-4-10-22(21)27-2;5-3(6)1-2-4(7)8/h3-5,7,9-11,19H,6,8,12-18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

SOGCBACRRQACFZ-WLHGVMLRSA-N

Smiles

CC(CN1CCN(CC1)c2ccccc2OC)COc3cccc4c3SCCC4.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5389668,