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Substance Name: 1,3-Propanediol, 2-methyl-2-propyl-, dimethylcarbamate, isobutylcarbamate
RN: 63991-94-6
InChIKey: NKIJDWIHUKJRGW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H30-N2-O4

Molecular Weight

  • 302.412
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-propyl-1,3-propanediol dimethylcarbamate isobutylcarbamate
  • BRN 2129121

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-propyl-, dimethylcarbamate, isobutylcarbamate

Registry Numbers

CAS Registry Number

  • 63991-94-6

System Generated Number

  • 0063991946

Structure Descriptors

InChI

1S/C15H30N2O4/c1-7-8-15(4,11-21-14(19)17(5)6)10-20-13(18)16-9-12(2)3/h12H,7-11H2,1-6H3,(H,16,18)

InChIKey

NKIJDWIHUKJRGW-UHFFFAOYSA-N

Smiles

C(OC[C@@](COC(NCC(C)C)=O)(CCC)C)(N(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1525mg/kg (1525mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.