Afloqualone: 0 Products found
Name
Afloqualone
EINECS
CAS No.
56287-74-2
Density
1.31 g/cm3
Solubility
Melting Point
195-196 °C
Formula
C16H14FN3O
Boiling Point
492.541 °C at 760 mmHg
Molecular Weight
283.30
Flash Point
251.68 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one;4(3H)-Quinazolinone, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)- (9CI);Aroft;Arofuto;Afloqualona;Afloqualon;

History

Formaldehyde was first reported by the Russian chemist Aleksandr Butlerov (1828-1886), but it was conclusively identified by August Wilhelm von Hofmann.

Others

The CAS registry number of Afloqualone is 56287-74-2. In addition, the molecular formula is C16H14FN3O and the molecular weight is 283.30. Its IUPAC name is 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one. What's more, it is an analogue of methaqualone. It has sedative and muscle relaxant effects, and has had some clinical use.

Physical properties about Afloqualone are: (1)ACD/LogP: 0.85; (2)ACD/LogD (pH 5.5): 0.851; (3)ACD/LogD (pH 7.4): 0.852; (4)ACD/BCF (pH 5.5): 2.61; (5)ACD/BCF (pH 7.4): 2.614; (6)ACD/KOC (pH 5.5): 69.142; (7)ACD/KOC (pH 7.4): 69.233; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 58.69 Å2; (12)Index of Refraction: 1.642; (13)Molar Refractivity: 78.098 cm3; (14)Molar Volume: 216.248 cm3; (15)Polarizability: 30.96 ×10-24cm3; (16)Surface Tension: 47.295 dyne/cm; (17)Density: 1.31 g/cm3; (18)Flash Point: 251.68 °C; (19)Enthalpy of Vaporization: 75.949 kJ/mol; (20)Boiling Point: 492.541 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccccc1n2c(nc3ccc(cc3c2=O)N)CF
(2)Std. InChI: InChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3
(3)Std. InChIKey: VDOSWXIDETXFET-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 272mg/kg (272mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 17, Pg. 991, 1983.
mouse LD50 oral 397mg/kg (397mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 17, Pg. 991, 1983.
mouse LD50 subcutaneous 591mg/kg (591mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 17, Pg. 991, 1983.
rat LD50 intraperitoneal 385mg/kg (385mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Kiso to Rinsho. Clinical Report. Vol. 17, Pg. 991, 1983.
rat LD50 oral 249mg/kg (249mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Kiso to Rinsho. Clinical Report. Vol. 17, Pg. 991, 1983.
rat LD50 subcutaneous 823mg/kg (823mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Kiso to Rinsho. Clinical Report. Vol. 17, Pg. 991, 1983.