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Substance Name: 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate
RN: 25451-06-3
InChIKey: BUHTVBNGCWQMMA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-N2-O4-S

Molecular Weight

  • 354.468
 
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Names and Synonyms

Synonyms

  • 2-(p-Butylmercaptophenyl)-2-ethyl-1,3-propanediol dicarbamate
  • BRN 3067943

Systematic Name

  • 1,3-Propanediol, 2-(p-butylthiophenyl)-2-ethyl-, dicarbamate

Registry Numbers

CAS Registry Number

  • 25451-06-3

System Generated Number

  • 0025451063

Structure Descriptors

InChI

1S/C17H26N2O4S/c1-3-5-10-24-14-8-6-13(7-9-14)17(4-2,11-22-15(18)20)12-23-16(19)21/h6-9H,3-5,10-12H2,1-2H3,(H2,18,20)(H2,19,21)

InChIKey

BUHTVBNGCWQMMA-UHFFFAOYSA-N

Smiles

C(c1ccc(cc1)SCCCC)(COC(=O)N)(COC(=O)N)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 735mg/kg (735mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.