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Substance Name: Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-
RN: 87125-97-1
InChIKey: RHRSBTVNCCOGDJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-N3-O3-S

Molecular Weight

  • 345.4211
 
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Names and Synonyms

Synonym

  • alpha-((4-Methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)benzeneacetic acid

Systematic Name

  • Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-

Registry Numbers

CAS Registry Number

  • 87125-97-1

System Generated Number

  • 0087125971

Structure Descriptors

InChI

1S/C17H19N3O3S/c1-12-11-14(20-7-9-23-10-8-20)19-17(18-12)24-15(16(21)22)13-5-3-2-4-6-13/h2-6,11,15H,7-10H2,1H3,(H,21,22)

InChIKey

RHRSBTVNCCOGDJ-UHFFFAOYSA-N

Smiles

Cc1cc(nc(n1)SC(c2ccccc2)C(=O)O)N3CCOCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular > 500mg/kg (500mg/kg)   Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 18, Pg. 75, 1986.