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Name	Schistosomicide	EINECS	N/A
CAS No.	548-57-2	Density	N/A
PSA	60.58000	LogP	5.35180
Solubility	N/A	Melting Point	195-196oC
Formula	C₂₀H₂₄N₂OS•ClH	Boiling Point	512.4°C at 760 mmHg
Molecular Weight	376.98	Flash Point	263.7°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by intravenous and intraperitoneal routes. Human mutation data reported. Used as an antischisosomal agent. When heated to decomposition it emits very toxic fumes of HCl, SO_x, and NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Lycanthone;1-(2-diethylamino-ethylamino)-4-methyl-thioxanthen-9-one,hydrochloride;thioxanthone;1-<2-Diaethylamino-aethylamino>-4-methyl-thioxanthenon-(9);1-(2-Diaethylamino-aethylamino)-4-methyl-thioxanthen-9-on,Hydrochlorid;1-[[2-(Diethylamino)ethyl]amino]-4-methyl-9H-thioxanthen-9-one;1-(2-Diaethylamino-aethylamino)-4-methyl-thioxanthen-9-on;1-(2-Diethylamino-ethylamino)-4-methylthiaxanthon,Lucanthon;1-(2-diethylamino-ethylamino)-4-methyl-thioxanthen-9-one;

Schistosomicide Chemical Properties

Molecule structure of Schistosomicide (CAS NO.548-57-2) :

IUPAC Name: 1-(2-diethylaminoethylamino)-4-methylthioxanthen-9-one hydrochloride
Molecular Weight: 376.9433 g/mol
Molecular Formula: C₂₀H₂₅ClN₂OS
Boiling Point: 512.4 °C at 760 mmHg
Flash Point: 263.7 °C
Enthalpy of Vaporization: 78.36 kJ/mol
Vapour Pressure: 1.3E-10 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Tautomer Count: 4
Exact Mass: 376.137612
MonoIsotopic Mass: 376.137612
Topological Polar Surface Area: 32.3
Heavy Atom Count: 25
Complexity: 426
Canonical SMILES: CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.Cl
InChI: InChI=1S/C20H24N2OS.ClH/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20;/h6-11,21H,4-5,12-13H2,1-3H3;1H
InChIKey: LAOOXBLMIJHMFO-UHFFFAOYSA-N
EINECS of Schistosomicide (CAS NO.548-57-2) : 208-951-5

Schistosomicide Toxicity Data With Reference

1.	dnd-esc 10 µmol/L	MUREAV Mutation Research. 89 (1981),95.
2.	cyt-hmn:oth 10 µmol/L	ACIEAY Angewandte Chemie, International Edition in English. 10 (1971),302.
3.	cyt-hmn:leu 5 µmol/L	ZENBAX Zeitschrift fuer Naturforschung, Ausgabe B, Chemie, Biochemie, Biophysik, Biologie und Verwandten Gebieten. 25B (1970),115.
4.	ipr-mus LD50:181 mg/kg	NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 .
5.	ivn-mus LD50:45 mg/kg	QJPPAL Quarterly Journal of Pharmacy and Pharmacology. 20 (1947),31.

Schistosomicide Consensus Reports

EPA Genetic Toxicology Program.

Schistosomicide Safety Profile

Poison by intravenous and intraperitoneal routes. Human mutation data reported. Used as an antischisosomal agent. When heated to decomposition it emits very toxic fumes of HCl, SO_x, and NO_x.

Schistosomicide Specification

Schistosomicide (CAS NO.548-57-2) is also called Lucanthone hydrochloride ; Lucanthone hydrochloride [USAN] ; 1-((2-(Diethylamino)ethyl)amino)-4-methylthioxanthen-9-one monohydrochloride ; 1-((2-Diethylaminoethyl)amino)-4-methylthioxanthen-9-one hydrochloride ; 1-(2-Diethylaminoethylamino)-4-methylthiaxanthone hydrochloride ; 1-(beta-Diethylaminoethylamino)-4-methylthiaxanthone hydrochloride ; 1-Diaethylamino-aethylamino-4-methyl-thioxanthonhydrochlorid ; 3735 R. P. ; 79T61 ; 9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methyl-, monohydrochloride ; AI3-52847 ; B.W. 57-233 ; CBC 900139 ; Lucanthone HCl ; Lucanthone monohydrochloride ; Miracil D ; Miracol ; Ms. 752 ; NIH 3127 ; NSC 14574 ; Nilodin ; Scapuren ; Tixantone ; UNII-918K9N56QZ .

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