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Substance Name: 2-((4,6,6-Trimethyl-1,6-dihydropyrimidin-2-yl)thio)acetic acid hydrochloride
RN: 34928-00-2
UNII: R1BKG0NNAN
InChIKey: PVVCRAHNTGHTEA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H14-N2-O2-S.Cl-H

Molecular Weight

  • 250.7485
 
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Names and Synonyms

Name of Substance

  • 2-((4,6,6-Trimethyl-1,6-dihydropyrimidin-2-yl)thio)acetic acid hydrochloride

Synonyms

  • ((4,6,6-Trimethyl-3,6-dihydro-2-pyrimidinyl)thio)acetic acid hydrochloride
  • UNII-R1BKG0NNAN

Systematic Name

  • Acetic acid, ((4,6,6-trimethyl-3,6-dihydro-2-pyrimidinyl)thio)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 34928-00-2

FDA UNII

  • R1BKG0NNAN

System Generated Number

  • 0034928002

Molecular Formulas

Molecular Formula

  • C9-H14-N2-O2-S.Cl-H

Molecular Formula Fragments

  • C9-H14-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C9H14N2O2S.ClH/c1-6-4-9(2,3)11-8(10-6)14-5-7(12)13;/h4H,5H2,1-3H3,(H,10,11)(H,12,13);1H

InChIKey

PVVCRAHNTGHTEA-UHFFFAOYSA-N

Smiles

CC1=CC(NC(=N1)SCC(=O)O)(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Farmakologiya i Toksikologiya Vol. 43, Pg. 103, 1980.