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Substance Name: Tridihexethyl chloride [USP:INN:BAN]
RN: 4310-35-4
UNII: 25YK75CYMX
InChIKey: XJGONMZLEDGBRM-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C21-H36-Cl-N-O
  • C21-H36-N-O.Cl

Molecular Weight

  • 353.9744
 
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Names and Synonyms

Name of Substance

  • Tridihexethyl chloride [USP:INN:BAN]

Synonyms

  • (3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium chloride
  • EINECS 224-323-3
  • Pathilon
  • Pathilon chloride
  • Tridihexethyl chloride
  • UNII-25YK75CYMX

Systematic Names

  • Ammonium, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethyl-, chloride
  • Benzenepropanaminium, gamma-cyclohexyl-N,N,N-triethyl-gamma-hydroxy-, chloride
  • Tridihexethyl chloride

Mixture Name

  • Milpath

Registry Numbers

CAS Registry Number

  • 4310-35-4

FDA UNII

  • 25YK75CYMX

Related Registry Number

  • 60-49-1 (Parent)

System Generated Number

  • 0004310354

Molecular Formulas

Molecular Formulas

  • C21-H36-Cl-N-O
  • C21-H36-N-O.Cl

Molecular Formula Fragments

  • C21-H36-N-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

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

InChIKey

XJGONMZLEDGBRM-UHFFFAOYSA-M

Smiles

CC[N+](CC)(CC)CCC(c1ccccc1)(C2CCCCC2)O.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 103mg/kg (103mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Pharmazie. Vol. 35, Pg. 612, 1980.