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Substance Name: Tiemonium iodide [INN:BAN:JAN]
RN: 144-12-7
UNII: FZ2LZ7U304
InChIKey: IOFXEUZPIIUQAG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-N-O2-S.I

Molecular Weight

  • 445.3586
 
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Names and Synonyms

Name of Substance

  • Tiemonium iodide
  • Tiemonium iodide [INN:BAN:JAN]

Synonyms

  • 1-alpha-Thienyl-1-phenyl-3-N-methylmorpholinium 1-propanol iodide
  • 114 C.E.
  • 4-(3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-morpholinium iodide
  • 4-(3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methylmorpholinium iodide
  • Cerfa 114
  • EINECS 205-616-5
  • Iodure de alpha-thienyl-1 phenyl-1 N-methyl morpholinium-3 propanol-1
  • Iodure de alpha-thienyl-1 phenyl-1 N-methyl morpholinium-3 propanol-1 [French]
  • Iodure de tiemonium
  • Iodure de tiemonium [INN-French]
  • Ioduro de tiemonio
  • Ioduro de tiemonio [INN-Spanish]
  • TE 114
  • Tiemonii iodidum
  • Tiemonii iodidum [INN-Latin]
  • Tiemonio ioduro
  • Tiemonio ioduro [DCIT]
  • Tiemonium iodide
  • Tiemozyl
  • UNII-FZ2LZ7U304
  • Visceralgin
  • Visceralgine

Systematic Names

  • 4-(3-Hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-morpholinium iodide
  • Morpholinium, 4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-, iodide
  • Tiemonium iodide

Registry Numbers

CAS Registry Number

  • 144-12-7

FDA UNII

  • FZ2LZ7U304

System Generated Number

  • 0000144127

Molecular Formulas

Molecular Formula

  • C18-H24-N-O2-S.I

Molecular Formula Fragments

  • C18-H24-N-O2-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C18H24NO2S.HI/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16;/h2-8,15,20H,9-14H2,1H3;1H/q+1;/p-1

InChIKey

IOFXEUZPIIUQAG-UHFFFAOYSA-M

Smiles

C[N+]1(CCOCC1)CCC(c2ccccc2)(c3cccs3)O.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969.
mouse LD50 intravenous 30mg/kg (30mg/kg)   Drugs in Japan Vol. 6, Pg. 865, 1982.
mouse LD50 oral 1800mg/kg (1800mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969.
mouse LD50 subcutaneous 450mg/kg (450mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969.
rat LD50 intraperitoneal 240mg/kg (240mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969.
rat LD50 intravenous 30mg/kg (30mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 141, Pg. 465, 1963.
rat LD50 oral 2295mg/kg (2295mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969.
rat LD50 subcutaneous 1350mg/kg (1350mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 390, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 190 deg C   EXP
log P (octanol-water) -0.680 (none)   EST
Atmospheric OH Rate Constant 1.17E-10 cm3/molecule-sec 25 EST

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