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Substance Name: 2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3- tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)-
RN: 153804-66-1
InChIKey: JDUNQERGDLUNNI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H31-N-O2-S

Molecular Weight

  • 373.5579
 
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Names and Synonyms

Synonym

  • 8-((3-((Adamantyl)amino)-2-hydroxypropyl)oxy)thiochroman

Systematic Name

  • 2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3- tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)-

Registry Numbers

CAS Registry Number

  • 153804-66-1

System Generated Number

  • 0153804661

Structure Descriptors

InChI

1S/C22H31NO2S/c24-19(14-25-20-5-1-3-18-4-2-6-26-21(18)20)13-23-22-10-15-7-16(11-22)9-17(8-15)12-22/h1,3,5,15-17,19,23-24H,2,4,6-14H2

InChIKey

JDUNQERGDLUNNI-UHFFFAOYSA-N

Smiles

c1cc2c(c(c1)OCC(CNC34CC5CC(C3)CC(C5)C4)O)SCCC2

Toxicity

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