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Substance Name: 1-Pentanol, 2-(mercaptomethyl)-2-methyl-, dicarbamate
RN: 1112-92-1
InChIKey: OSLHKMKFZBQLAN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H18-N2-O3-S

Molecular Weight

  • 234.318
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-propyl-1,3-propanediol carbamate thiocarbamate
  • 3-Carbamoxy-2-methyl-2-propylpropyl thiolcarbamate
  • BRN 1911864
  • Carbamic acid, thio, S-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate

Systematic Name

  • 1-Pentanol, 2-(mercaptomethyl)-2-methyl-, dicarbamate

Registry Numbers

CAS Registry Number

  • 1112-92-1

System Generated Number

  • 0001112921

Structure Descriptors

InChI

1S/C9H18N2O3S/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)

InChIKey

OSLHKMKFZBQLAN-UHFFFAOYSA-N

Smiles

NC(=O)OC[C@@](CCC)(CSC(N)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 720mg/kg (720mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) Journal of Medicinal Chemistry. Vol. 8, Pg. 208, 1965.