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Substance Name: 2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((4-phenylbutyl)amino)-
RN: 153804-63-8
InChIKey: RCQQFYSDEZXXHW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N-O2-S

Molecular Weight

  • 371.5421
 
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Names and Synonyms

Synonyms

  • 1-((3,4-Dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((4-phenylbutyl)amino)-2-propanol
  • 8-((2-Hydroxy-3-((4-phenylbutyl)amino)propyl)oxy)thiochroman

Systematic Name

  • 2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((4-phenylbutyl)amino)-

Registry Numbers

CAS Registry Number

  • 153804-63-8

System Generated Number

  • 0153804638

Structure Descriptors

InChI

1S/C22H29NO2S/c24-20(16-23-14-5-4-10-18-8-2-1-3-9-18)17-25-21-13-6-11-19-12-7-15-26-22(19)21/h1-3,6,8-9,11,13,20,23-24H,4-5,7,10,12,14-17H2

InChIKey

RCQQFYSDEZXXHW-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCCCNCC(COc2cccc3c2SCCC3)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,