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Substance Name: Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-(2-propenylthio)-
RN: 172984-45-1
InChIKey: WGVBVZVEBONNDD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H28-N2-O-S

Molecular Weight

  • 428.5972
 
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Names and Synonyms

Synonyms

  • 2-(Allylthio)-3-benzyl-4-oxo-1,2,3,4,5,6-hexahydrospiro(benzo(h)quinazoline-5,1'-cyclohexane)
  • 3-(Phenylmethyl)-2-(2-propenylthio)spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one

Systematic Name

  • Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-(phenylmethyl)-2-(2-propenylthio)-

Registry Numbers

CAS Registry Number

  • 172984-45-1

System Generated Number

  • 0172984451

Structure Descriptors

InChI

1S/C27H28N2OS/c1-2-17-31-26-28-24-22-14-8-7-13-21(22)18-27(15-9-4-10-16-27)23(24)25(30)29(26)19-20-11-5-3-6-12-20/h2-3,5-8,11-14H,1,4,9-10,15-19H2

InChIKey

WGVBVZVEBONNDD-UHFFFAOYSA-N

Smiles

C=CCSc1nc-2c(c(=O)n1Cc3ccccc3)C4(CCCCC4)Cc5c2cccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 4gm/kg (4000mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 259, 1995.