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Substance Name: Midaflur [USAN:INN]
RN: 23757-42-8
UNII: 840CTL676L
InChIKey: KYWMWUUMCDZISK-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect
  • Sedative-Hypnotic

Molecular Formula

  • C7-H3-F12-N3

Molecular Weight

  • 357.098
 
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Names and Synonyms

Name of Substance

  • Midaflur
  • Midaflur [USAN:INN]

Synonyms

  • 4-Amino-2,2,5,5-tetrakis(trifluoromethyl)-3-imidazoline
  • 5-Amino-2,2,4,4-tetrakis(trifluoromethyl)imidazolidine
  • EXP 338
  • Midaflur
  • Midaflurum
  • Midaflurum [INN-Latin]
  • UNII-840CTL676L

Systematic Names

  • 1H-Imidazol-4-amine, 2,5-dihydro-2,2,5,5-tetrakis(trifluoromethyl)-
  • 2,5-Dihydro-2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-amine
  • 3-Imidazoline, 4-amino-2,2,5,5-tetrakis(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 23757-42-8

FDA UNII

  • 840CTL676L

Other Registry Number

  • 14372-89-5

System Generated Number

  • 0023757428

Structure Descriptors

InChI

1S/C7H3F12N3/c8-4(9,10)2(5(11,12)13)1(20)21-3(22-2,6(14,15)16)7(17,18)19/h22H,(H2,20,21)

InChIKey

KYWMWUUMCDZISK-UHFFFAOYSA-N

Smiles

C1(NC(C(F)(F)F)(C(F)(F)F)N=C1N)(C(F)(F)F)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 150mg/kg (150mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 265, 1972.
guinea pig LD50 oral 11mg/kg (11mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 265, 1972.
mouse LD50 intraperitoneal 189mg/kg (189mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 265, 1972.
mouse LD50 intravenous 231mg/kg (231mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 265, 1972.
mouse LD50 oral 262mg/kg (262mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 265, 1972.
rat LD50 intraperitoneal 12mg/kg (12mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 265, 1972.
rat LD50 oral 19mg/kg (19mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 265, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.35 (none)   EXP
Water Solubility 7.730 mg/L 25 EST
Vapor Pressure 0.984 mm Hg 25 EST
Henry's Law Constant 1.88E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 0.0 cm3/molecule-sec 25 EST

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