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Substance Name: 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, propylcarbamate
RN: 25385-13-1
InChIKey: XOTGIMIAOGYFEM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-N2-O4

Molecular Weight

  • 294.349
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-phenyl-1,3-propanediol carbamate propylcarbamate
  • BRN 3064166

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, propylcarbamate

Registry Numbers

CAS Registry Number

  • 25385-13-1

System Generated Number

  • 0025385131

Structure Descriptors

InChI

1S/C15H22N2O4/c1-3-9-17-14(19)21-11-15(2,10-20-13(16)18)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H2,16,18)(H,17,19)

InChIKey

XOTGIMIAOGYFEM-UHFFFAOYSA-N

Smiles

C(OC[C@@](COC(=O)N)(c1ccccc1)C)(=O)NCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 586mg/kg (586mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.