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Substance Name: 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate
RN: 25451-76-7
InChIKey: KHYQRBMKDBGYKN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N2-O4

Molecular Weight

  • 328.366
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-phenyl-1,3-propanediol carbamate phenylcarbamate
  • BRN 3106462

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25451-76-7

System Generated Number

  • 0025451767

Structure Descriptors

InChI

1S/C18H20N2O4/c1-18(12-23-16(19)21,14-8-4-2-5-9-14)13-24-17(22)20-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,19,21)(H,20,22)

InChIKey

KHYQRBMKDBGYKN-UHFFFAOYSA-N

Smiles

C(Nc1ccccc1)(OC[C@@](COC(=O)N)(c1ccccc1)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 520mg/kg (520mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.