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Substance Name: Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1)
RN: 153804-60-5
InChIKey: NCRPGBKJFZCLLY-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-N-O2-S.C4-H4-O4

Molecular Weight

  • 513.6515
 
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Names and Synonyms

Synonym

  • 8-((2-Methoxy-3-(4-phenylpiperidin-1-yl)propyl)oxy)thiochroman fumarate

Systematic Name

  • Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 153804-60-5

System Generated Number

  • 0153804605

Molecular Formulas

Molecular Formula

  • C24-H31-N-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C24-H31-N-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31NO2S.C4H4O4/c1-26-22(18-27-23-11-5-9-21-10-6-16-28-24(21)23)17-25-14-12-20(13-15-25)19-7-3-2-4-8-19;5-3(6)1-2-4(7)8/h2-5,7-9,11,20,22H,6,10,12-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

NCRPGBKJFZCLLY-WLHGVMLRSA-N

Smiles

COC(CN1CCC(CC1)c2ccccc2)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,