Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ammonium, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethyl-, octanesulfonate
RN: 67603-59-2
InChIKey: YEWWROBYEIERTF-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H36-N-O.C8-H17-O3-S

Molecular Weight

  • 511.807
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • (3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium octanesulfonate

Systematic Name

  • Ammonium, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethyl-, octanesulfonate

Registry Numbers

CAS Registry Number

  • 67603-59-2

System Generated Number

  • 0067603592

Molecular Formulas

Molecular Formula

  • C21-H36-N-O.C8-H17-O3-S

Molecular Formula Fragments

  • C21-H36-N-O
  • C8-H17-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H36NO.C8H18O3S/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;1-2-3-4-5-6-7-8-12(9,10)11/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1

InChIKey

YEWWROBYEIERTF-UHFFFAOYSA-M

Smiles

c1([C@@](C2CCCCC2)(CC[N+](CC)(CC)CC)O)ccccc1.C(CCCCCCC)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 97mg/kg (97mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Pharmazie. Vol. 35, Pg. 612, 1980.