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Substance Name: 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-
RN: 25480-65-3
InChIKey: XZDXXCQJZCCDCT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H24-O2-S

Molecular Weight

  • 268.419
 
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Names and Synonyms

Synonyms

  • 2-(p-(Butylthio)phenyl)-2-ethyl-1,3-propanediol
  • 2-Ethyl-2-(p-n-butylmercaptophenyl)-1,3-propanediol

Systematic Name

  • 1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-

Registry Numbers

CAS Registry Number

  • 25480-65-3

System Generated Number

  • 0025480653

Structure Descriptors

InChI

1S/C15H24O2S/c1-3-5-10-18-14-8-6-13(7-9-14)15(4-2,11-16)12-17/h6-9,16-17H,3-5,10-12H2,1-2H3

InChIKey

XZDXXCQJZCCDCT-UHFFFAOYSA-N

Smiles

C(C(CO)(CC)c1ccc(cc1)SCCCC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 620mg/kg (620mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.