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Substance Name: 1,3-Propanediol, 2-isobutyl-2-methyl-, butylcarbamate, carbamate
RN: 25385-12-0
InChIKey: JGDLWBTULYDFPC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H28-N2-O4

Molecular Weight

  • 288.385
 
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Names and Synonyms

Synonyms

  • 2-Isobutyl-2-methyl-1,3-propanediol butylcarbamate carbamate
  • BRN 3083743

Systematic Name

  • 1,3-Propanediol, 2-isobutyl-2-methyl-, butylcarbamate, carbamate

Registry Numbers

CAS Registry Number

  • 25385-12-0

System Generated Number

  • 0025385120

Structure Descriptors

InChI

1S/C14H28N2O4/c1-5-6-7-16-13(18)20-10-14(4,8-11(2)3)9-19-12(15)17/h11H,5-10H2,1-4H3,(H2,15,17)(H,16,18)

InChIKey

JGDLWBTULYDFPC-UHFFFAOYSA-N

Smiles

C(=O)(OC[C@@](COC(=O)N)(CC(C)C)C)NCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 760mg/kg (760mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.