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Substance Name: 2-Cyclohexyl-1,3-propanediol
RN: 2612-32-0
UNII: SFI58123IQ
InChIKey: CMNVSZHIHFLQFS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H18-O2

Molecular Weight

  • 158.239
 
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Names and Synonyms

Name of Substance

  • 2-Cyclohexyl-1,3-propanediol

Synonyms

  • 2-Cyclohexyl-1,3-propanediol
  • BRN 2072291
  • UNII-SFI58123IQ

Systematic Name

  • 1,3-Propanediol, 2-cyclohexyl-

Registry Numbers

CAS Registry Number

  • 2612-32-0

FDA UNII

  • SFI58123IQ

System Generated Number

  • 0002612320

Structure Descriptors

InChI

1S/C9H18O2/c10-6-9(7-11)8-4-2-1-3-5-8/h8-11H,1-7H2

InChIKey

CMNVSZHIHFLQFS-UHFFFAOYSA-N

Smiles

C(C(CO)C1CCCCC1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 250mg/kg (250mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.