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Substance Name: 1,3-Propanediol, 2-methyl-2-propyl-, N-methyl-N-(1-phenyl-2-propyl)carbamate
RN: 25384-40-1
InChIKey: KRSJNPQCDCZRDP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N-O3

Molecular Weight

  • 307.431
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-propyl-1,3-propanediol N-methyl-N-(1-phenyl-2-propyl)carbamate
  • BRN 3059745

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-propyl-, N-methyl-N-(1-phenyl-2-propyl)carbamate

Registry Numbers

CAS Registry Number

  • 25384-40-1

System Generated Number

  • 0025384401

Structure Descriptors

InChI

1S/C18H29NO3/c1-5-11-18(3,13-20)14-22-17(21)19(4)15(2)12-16-9-7-6-8-10-16/h6-10,15,20H,5,11-14H2,1-4H3

InChIKey

KRSJNPQCDCZRDP-UHFFFAOYSA-N

Smiles

c1cc(C[C@@H](C)N(C(=O)OC[C@@](CO)(C)CCC)C)ccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2050mg/kg (2050mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.