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Substance Name: Spiro(piperidine-4,6'(7'H)-(5H)thiazolo(3,2-a)pyrimidine), 1-butyl-3'-(2-naphthalenyl)-, ethanedioate (1:2)
RN: 52419-76-8
InChIKey: KUVKOPXBMHSENF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-N3-S.2C2-H2-O4

Molecular Weight

  • 589.6625
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 52419-76-8

System Generated Number

  • 0052419768

Molecular Formulas

Molecular Formula

  • C24-H29-N3-S.2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C24-H29-N3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31N3OS.2C2H2O4/c1-2-3-12-26-13-10-23(11-14-26)16-25-22-27(17-23)24(28,18-29-22)21-9-8-19-6-4-5-7-20(19)15-21;2*3-1(4)2(5)6/h4-9,15,28H,2-3,10-14,16-18H2,1H3;2*(H,3,4)(H,5,6)

InChIKey

KUVKOPXBMHSENF-UHFFFAOYSA-N

Smiles

CCCCN1CCC2(CC1)CN=C3N(C2)C(CS3)(c4ccc5ccccc5c4)O.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 intravenous 87mg/kg (87mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 115, 1976.
mouse LD50 oral 433mg/kg (433mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 115, 1976.