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Substance Name: 1,3-Propanediol, 2-methyl-2-propyl-, bis(1-hydroxy-2,2,2-trichloroethylcarbamate)
RN: 25648-69-5
InChIKey: OMCKLQRQFUWZOA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-Cl6-N2-O6

Molecular Weight

  • 513.027
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-propyl-1,3-propanediol bis(1-hydroxy-2,2,2-trichloroethylcarbamate)
  • 2-Methyl-2-propyl-1,3-propanediol N,N'-bis(2,2,2-trichlorohydroxyethyl)dicarbamate
  • BRN 3014021

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-propyl-, bis(1-hydroxy-2,2,2-trichloroethylcarbamate)

Registry Numbers

CAS Registry Number

  • 25648-69-5

System Generated Number

  • 0025648695

Structure Descriptors

InChI

1S/C13H20Cl6N2O6/c1-3-4-11(2,5-26-9(24)20-7(22)12(14,15)16)6-27-10(25)21-8(23)13(17,18)19/h7-8,22-23H,3-6H2,1-2H3,(H,20,24)(H,21,25)

InChIKey

OMCKLQRQFUWZOA-UHFFFAOYSA-N

Smiles

N(C(=O)OCC(COC(N[C@@H](C(Cl)(Cl)Cl)O)=O)(CCC)C)[C@@H](C(Cl)(Cl)Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1045mg/kg (1045mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.