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Substance Name: 1,3-Propanediol, 2,2-diethyl-, dicarbamate
RN: 6009-77-4
InChIKey: VSYMNDBTCKIDLT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H18-N2-O4

Molecular Weight

  • 218.251
 
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Names and Synonyms

Synonyms

  • 2,2-Diethyl-1,3-propanediol dicarbamate
  • 4-03-00-00073 (Beilstein Handbook Reference)
  • BRN 1786540
  • Carbamic acid, 2,2-diethyltrimethylene ester
  • Metuchen
  • NSC 16569
  • NSC 172125

Systematic Names

  • 1,3-Propanediol, 2,2-diethyl-, dicarbamate
  • Carbamic acid, 2,2-diethyltrimethylene ester (8CI)

Registry Numbers

CAS Registry Number

  • 6009-77-4

System Generated Number

  • 0006009774

Structure Descriptors

InChI

1S/C9H18N2O4/c1-3-9(4-2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)

InChIKey

VSYMNDBTCKIDLT-UHFFFAOYSA-N

Smiles

C(=O)(OCC(COC(=O)N)(CC)CC)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1400mg/kg (1400mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 337, 1956.