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Substance Name: Tridihexethyl iodide [INN]
RN: 125-99-5
UNII: 7Y7FXO7GQP
InChIKey: VFEDLMLHAGASHB-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C21-H36-I-N-O
  • C21-H36-N-O.I

Molecular Weight

  • 445.4214
 
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Names and Synonyms

Name of Substance

  • Tridihexethyl iodide
  • Tridihexethyl iodide [INN]

Synonyms

  • (3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium iodide
  • 1-Cyclohexyl-3-diethylamino-1-phenyl-1-propanol ethiodide
  • 3-Diethylamino-1-cyclohexyl-1-phenyl-1-propanol ethiodide
  • 3-Diethylamino-1-phenyl-1-cyclohexyl-1-propanol ethiodide
  • 921 C
  • alpha-(2-Diethylaminoethyl)-alpha-phenylcyclohexanemethanol ethiodide
  • Claviton
  • EINECS 204-762-7
  • gamma-Cyclohexyl-N,N,N-triethyl-gamma-hydroxybenzenepropanaminium iodide
  • Iodure de tridihexethyl
  • Iodure de tridihexethyl [INN-French]
  • Ioduro de tridihexetilo
  • Ioduro de tridihexetilo [INN-Spanish]
  • Pathilon
  • Propethonum
  • Propethonum iodide
  • Tridihexethide
  • Tridihexethyl iodide
  • Tridihexethyli iodidum
  • Tridihexethyli iodidum [INN-Latin]
  • Tridihexide
  • Trihexethyl iodide
  • UNII-7Y7FXO7GQP

Systematic Names

  • (3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium iodide
  • Ammonium, (3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethyl-, iodide
  • Benzenepropanaminium, gamma-cyclohexyl-N,N,N-triethyl-gamma-hydroxy-, iodide (9CI)
  • Tridihexethyl iodide

Registry Numbers

CAS Registry Number

  • 125-99-5

FDA UNII

  • 7Y7FXO7GQP

Related Registry Number

  • 60-49-1 (Parent)

System Generated Number

  • 0000125995

Molecular Formulas

Molecular Formulas

  • C21-H36-I-N-O
  • C21-H36-N-O.I

Molecular Formula Fragments

  • C21-H36-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C21H36NO.HI/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

VFEDLMLHAGASHB-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 53, Pg. 84S, 1957.
mouse LD50 intravenous 18mg/kg (18mg/kg) AUTONOMIC NERVOUS SYSTEM: GAGLION BLOCK

AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 137, Pg. 250, 1962.
mouse LD50 oral 570mg/kg (570mg/kg) AUTONOMIC NERVOUS SYSTEM: GAGLION BLOCK

AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 137, Pg. 250, 1962.
mouse LD50 subcutaneous 220mg/kg (220mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 53, Pg. 84S, 1957.
rat LD50 intravenous 27mg/kg (27mg/kg) AUTONOMIC NERVOUS SYSTEM: GAGLION BLOCK

AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 137, Pg. 250, 1962.
rat LD50 oral 1100mg/kg (1100mg/kg) AUTONOMIC NERVOUS SYSTEM: GAGLION BLOCK

AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 137, Pg. 250, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 181.5 deg C   EXP
log P (octanol-water) 1.170 (none)   EST
Water Solubility 1.10E+04 mg/L 25 EXP
Atmospheric OH Rate Constant 6.43E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.