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Substance Name: 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate)
RN: 25648-84-4
InChIKey: ZZHZBOWDNSQHCZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N2-O6

Molecular Weight

  • 302.325
 
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Names and Synonyms

Synonyms

  • 2-Isopropyl-2-methyl-1,3-propanediol bis(acetylcarbamate)
  • BRN 2991305

Systematic Name

  • 1,3-Propanediol, 2-isopropyl-2-methyl-, bis(acetylcarbamate)

Registry Numbers

CAS Registry Number

  • 25648-84-4

System Generated Number

  • 0025648844

Structure Descriptors

InChI

1S/C13H22N2O6/c1-8(2)13(5,6-20-11(18)14-9(3)16)7-21-12(19)15-10(4)17/h8H,6-7H2,1-5H3,(H,14,16,18)(H,15,17,19)

InChIKey

ZZHZBOWDNSQHCZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2340mg/kg (2340mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.