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Substance Name: 1,3-Propanediol, 2-cyclohexyl-2-ethyl-, dicarbamate
RN: 25450-98-0
InChIKey: OGAATJGNSCHZJI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H24-N2-O4

Molecular Weight

  • 272.343
 
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Names and Synonyms

Synonyms

  • 2-Cyclohexyl-2-ethyl-1,3-propanediol dicarbamate
  • BRN 3060310

Systematic Name

  • 1,3-Propanediol, 2-cyclohexyl-2-ethyl-, dicarbamate

Registry Numbers

CAS Registry Number

  • 25450-98-0

System Generated Number

  • 0025450980

Structure Descriptors

InChI

1S/C13H24N2O4/c1-2-13(8-18-11(14)16,9-19-12(15)17)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H2,14,16)(H2,15,17)

InChIKey

OGAATJGNSCHZJI-UHFFFAOYSA-N

Smiles

C(C(COC(N)=O)(CC)C1CCCCC1)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.