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Substance Name: Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester
RN: 95546-86-4
InChIKey: PWVNTHYOOOZHCN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H13-N3-O2-S

Molecular Weight

  • 227.2867
 
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Names and Synonyms

Synonyms

  • ((6-(Dimethylamino)-4-pyrimidinyl)thio)acetic acid methyl ester
  • BRN 5555845
  • Methyl (6-dimethylaminopyrimidin-4-ylthio)acetate

Systematic Name

  • Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester

Registry Numbers

CAS Registry Number

  • 95546-86-4

System Generated Number

  • 0095546864

Structure Descriptors

InChI

1S/C9H13N3O2S/c1-12(2)7-4-8(11-6-10-7)15-5-9(13)14-3/h4,6H,5H2,1-3H3

InChIKey

PWVNTHYOOOZHCN-UHFFFAOYSA-N

Smiles

C(CSc1ncnc(c1)N(C)C)(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Pharmaceutical Chemistry Journal Vol. 18, Pg. 775, 1984.