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Substance Name: Ammonium, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethyl-, butanesulfonate
RN: 67603-57-0
InChIKey: HYYSVXSWFZCCGR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H36-N-O.C4-H9-O3-S

Molecular Weight

  • 455.699
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67603-57-0

System Generated Number

  • 0067603570

Molecular Formulas

Molecular Formula

  • C21-H36-N-O.C4-H9-O3-S

Molecular Formula Fragments

  • C21-H36-N-O
  • C4-H9-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H36NO.C4H10O3S/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;1-2-3-4-8(5,6)7/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;2-4H2,1H3,(H,5,6,7)/q+1;/p-1

InChIKey

HYYSVXSWFZCCGR-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 142mg/kg (142mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Pharmazie. Vol. 35, Pg. 612, 1980.