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Substance Name: Spiro(piperidine-4,6'(7'H)-(5H)thiazolo(3,2-a)pyrimidin)-3'-ol, 2',3'-dihydro-3'-(2,5-dimethoxyphenyl)-1-octyl-, dihydrobromide
RN: 52488-15-0
InChIKey: BPWVQNWVHODUGY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H41-N3-O3-S.2Br-H

Molecular Weight

  • 637.5177
 
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Names and Synonyms

  • Spiro(piperidine-4,6'(7'H)-(5H)thiazolo(3,2-a)pyrimidin)-3'-ol, 2',3'-dihydro-3'-(2,5-dimethoxyphenyl)-1-octyl-, dihydrobromide

Registry Numbers

CAS Registry Number

  • 52488-15-0

System Generated Number

  • 0052488150

Molecular Formulas

Molecular Formula

  • C26-H41-N3-O3-S.2Br-H

Molecular Formula Fragments

  • Br-H
  • C26-H41-N3-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C26H41N3O3S.2BrH/c1-4-5-6-7-8-9-14-28-15-12-25(13-16-28)18-27-24-29(19-25)26(30,20-33-24)22-17-21(31-2)10-11-23(22)32-3;;/h10-11,17,30H,4-9,12-16,18-20H2,1-3H3;2*1H

InChIKey

BPWVQNWVHODUGY-UHFFFAOYSA-N

Smiles

CCCCCCCCN1CCC2(CC1)CN=C3N(C2)C(CS3)(c4cc(ccc4OC)OC)O.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 38mg/kg (38mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 115, 1976.
mouse LD50 oral 949mg/kg (949mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 115, 1976.