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Substance Name: 1,3-Propanediol, 2-methyl-2-propyl-, carbamate isopropylthiocarbamate (ester)
RN: 91565-32-1
InChIKey: UHOHFAUYOZZDOM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H24-N2-O3-S

Molecular Weight

  • 276.3986
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-propyl-1,3-propanediol carbamate isopropylthiocarbamate
  • 3-Carbamoxy-2-methyl-2-propylpropyl N-isopropylthioncarbamate
  • BRN 2416674
  • Carbamic acid, isopropylthio-, O-(2-(hydroxymethyl)-2-methylpentyl) ester, carbamate

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-propyl-, carbamate isopropylthiocarbamate (ester)

Registry Numbers

CAS Registry Number

  • 91565-32-1

System Generated Number

  • 0091565321

Structure Descriptors

InChI

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

InChIKey

UHOHFAUYOZZDOM-UHFFFAOYSA-N

Smiles

CCCC(C)(COC(=O)N)COC(=S)NC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 482mg/kg (482mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) Journal of Medicinal Chemistry. Vol. 8, Pg. 208, 1965.