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Substance Name: Spiro(piperidine-4,6'(7'H)-(5H)thiazolo(3,2-a)pyrimidine), 3'-(3,4-dichlorophenyl)-1-octyl-, ethanedioate (1:2)
RN: 60856-45-3
InChIKey: NQSWWIRYDGCEJL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H33-Cl2-N3-S.2C2-H2-O4

Molecular Weight

  • 646.5853
 
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Names and Synonyms

  • Spiro(piperidine-4,6'(7'H)-(5H)thiazolo(3,2-a)pyrimidine), 3'-(3,4-dichlorophenyl)-1-octyl-, ethanedioate (1:2)

Registry Numbers

CAS Registry Number

  • 60856-45-3

System Generated Number

  • 0060856453

Molecular Formulas

Molecular Formula

  • C24-H33-Cl2-N3-S.2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C24-H33-Cl2-N3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C24H33Cl2N3S.2C2H2O4/c1-2-3-4-5-6-7-12-28-13-10-24(11-14-28)17-27-23-29(18-24)22(16-30-23)19-8-9-20(25)21(26)15-19;2*3-1(4)2(5)6/h8-9,15-16H,2-7,10-14,17-18H2,1H3;2*(H,3,4)(H,5,6)

InChIKey

NQSWWIRYDGCEJL-UHFFFAOYSA-N

Smiles

CCCCCCCCN1CCC2(CC1)CN=C3N(C2)C(=CS3)c4ccc(c(c4)Cl)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 540mg/kg (540mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 115, 1976.