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Substance Name: 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate
RN: 25451-41-6
InChIKey: AKLDSRHPOBDCIM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N2-O4-S

Molecular Weight

  • 272.323
 
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Names and Synonyms

Synonym

  • 2-Ethyl-2-(3-thienyl)-1,3-propanediol dicarbamate

Systematic Name

  • 1,3-Propanediol, 2-ethyl-2-(3-thienyl)-, dicarbamate

Registry Numbers

CAS Registry Number

  • 25451-41-6

System Generated Number

  • 0025451416

Structure Descriptors

InChI

1S/C11H16N2O4S/c1-2-11(6-16-9(12)14,7-17-10(13)15)8-3-4-18-5-8/h3-5H,2,6-7H2,1H3,(H2,12,14)(H2,13,15)

InChIKey

AKLDSRHPOBDCIM-UHFFFAOYSA-N

Smiles

C(C(COC(N)=O)(c1cscc1)CC)OC(N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 420mg/kg (420mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.