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Substance Name: 1,3-Propanediol, 2-cyclohexyl-2-ethyl-
RN: 25450-99-1
InChIKey: VKVNNYYLKZRPQJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H22-O2

Molecular Weight

  • 186.293
 
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Names and Synonyms

Synonyms

  • 2-Cyclohexyl-2-ethyl-1,3-propanediol
  • BRN 2514896

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25450-99-1

System Generated Number

  • 0025450991

Structure Descriptors

InChI

1S/C11H22O2/c1-2-11(8-12,9-13)10-6-4-3-5-7-10/h10,12-13H,2-9H2,1H3

InChIKey

VKVNNYYLKZRPQJ-UHFFFAOYSA-N

Smiles

C(C(CO)(CC)C1CCCCC1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 280mg/kg (280mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.