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Substance Name: 1,3-Butanediol, dicarbamate
RN: 5952-27-2
InChIKey: ZNAVBUIWPSAZNF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H12-N2-O4

Molecular Weight

  • 176.171
 
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Names and Synonyms

Synonyms

  • 1,3-Bis(carbamoyloxy)butane
  • 4-03-00-00071 (Beilstein Handbook Reference)
  • BRN 1780225

Systematic Names

  • 1,3-Butanediol, dicarbamate
  • Carbamic acid, 1-methyltrimethylene ester (7CI)

Registry Numbers

CAS Registry Number

  • 5952-27-2

System Generated Number

  • 0005952272

Structure Descriptors

InChI

1S/C6H12N2O4/c1-4(12-6(8)10)2-3-11-5(7)9/h4H,2-3H2,1H3,(H2,7,9)(H2,8,10)

InChIKey

ZNAVBUIWPSAZNF-UHFFFAOYSA-N

Smiles

C([C@@H](OC(N)=O)C)COC(N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5900mg/kg (5900mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 595, 1959.