CAS No 3105-97-3 , 1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one

Name: 1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one
Synonyms: Lucanthone metabolite;Hicantona; Hycanthonum;1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one; CHEBI:52768; Hicantona [INN-Spanish]; Etrenol; 3105-97-3; Hycanthon;
CAS Registry Number:3105-97-3
Melting Point: approx 143 deg C
Flash Point: 298.9°C
Boiling Point: 570.5°Cat760mmHg
Density: 1.25g/cm³
Refractive index: 1.658
Safety Statements: Poison by subcutaneous, intravenous, and intramuscular routes. Moderately toxic by ingestion. Experimental teratogenic effects. Human mutation data reported. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits very toxic fumes of NO_x and SO_x.
Hazard Symbols: T: Toxic;
Flash Point: 298.9°C
EINECS: 221-463-7
Molecular Weight: 356.48176
InchiKey: MFZWMTSUNYWVBU-UHFFFAOYSA-N
InChI: InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19
(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3
Risk Statements: 45-46-20/21/22
Molecular Formula: C₂₀H₂₄N₂O₂S
Molecular Structure:

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References of 1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one

Title: Hycanthone
CAS Registry Number: 3105-97-3
CAS Name: 1-[[2-(Diethylamino)ethyl]amino]-4-(hydroxymethyl)-9H-thioxanthen-9-one
Molecular Formula: C20H24N2O2S
Molecular Weight: 356.48
Percent Composition: C 67.38%, H 6.79%, N 7.86%, O 8.98%, S 8.99%
Literature References: Metabolite of lucanthone, q.v.: Rosi et al., Nature 208, 1005 (1965). Prepn by oxidative fermentation of lucanthone and schistosomicidal activity: Rosi et al., J. Med. Chem. 10, 867 (1967); NL 6410359, and Rosi, Peruzzotti, US 3294803; US 3312598 (1965, 1966, 1967 all to Sterling Drug). Alternate synthesis: Laidlaw et al., J. Org. Chem. 38, 1743 (1973).
Properties: Crystals, mp 100.6-102.8°. Absorption max (ethanol): 233, 258, 329, 438 nm (e 19400, 37000, 9700, 6600). Extremely sensitive to acid.
Melting point: mp 100.6-102.8°
Absorption maximum: Absorption max (ethanol): 233, 258, 329, 438 nm (e 19400, 37000, 9700, 6600)

Derivative Type: Hydrochloride
Properties: mp 173-176° (dec).
Melting point: mp 173-176° (dec)

Derivative Type: Mesylate
CAS Registry Number: 23255-93-8
Trademarks: Etrenol (Winthrop)

Therap-Cat: Anthelmintic (Schistosoma).
Keywords: Anthelmintic (Schistosoma).