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Substance Name: 1,3-Propanediol, 2-methyl-2-propyl-, isopropylcarbamate thiocarbamate (ester)
RN: 1444-06-0
InChIKey: QWNSMEWKAXGMCM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H24-N2-O3-S

Molecular Weight

  • 276.399
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-propyl-3-thioncarbamoxypropyl N-isopropylcarbamate
  • BRN 2416673

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-propyl-, isopropylcarbamate thiocarbamate (ester)

Registry Numbers

CAS Registry Number

  • 1444-06-0

System Generated Number

  • 0001444060

Structure Descriptors

InChI

1S/C12H24N2O3S/c1-5-6-12(4,7-16-10(13)18)8-17-11(15)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,18)(H,14,15)

InChIKey

QWNSMEWKAXGMCM-UHFFFAOYSA-N

Smiles

N(C(=O)OC[C@@](C)(COC(N)=S)CCC)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 448mg/kg (448mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) Journal of Medicinal Chemistry. Vol. 8, Pg. 208, 1965.