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Substance Name: 1,3-Propanediol, 2-methyl-2-propyl-, propylcarbamate
RN: 25462-14-0
InChIKey: XNUDZCVMVQKWCS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H23-N-O3

Molecular Weight

  • 217.307
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-propyl-1,3-propanediol propylcarbamate
  • BRN 1944865

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-propyl-, propylcarbamate

Registry Numbers

CAS Registry Number

  • 25462-14-0

System Generated Number

  • 0025462140

Structure Descriptors

InChI

1S/C11H23NO3/c1-4-6-11(3,8-13)9-15-10(14)12-7-5-2/h13H,4-9H2,1-3H3,(H,12,14)

InChIKey

XNUDZCVMVQKWCS-UHFFFAOYSA-N

Smiles

C(=O)(OC[C@@](CO)(CCC)C)NCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.