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Substance Name: 1,3-Propanediol, 2-(3-phenylpropyl)-
RN: 25462-38-8
InChIKey: YNUXDWWNKONUFB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-O2

Molecular Weight

  • 194.272
 
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Names and Synonyms

Synonyms

  • 2-(3-Phenylpropyl)-1,3-propanediol
  • BRN 4801351

Systematic Name

  • 1,3-Propanediol, 2-(3-phenylpropyl)-

Registry Numbers

CAS Registry Number

  • 25462-38-8

System Generated Number

  • 0025462388

Structure Descriptors

InChI

1S/C12H18O2/c13-9-12(10-14)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2

InChIKey

YNUXDWWNKONUFB-UHFFFAOYSA-N

Smiles

C(C(CO)CCCc1ccccc1)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.