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Hycanthone

CAT: 0926-DAA10597-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-DAA10597-02Size:100 mg
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CAS Number
3105-97-3
MDL Number
MFCD00083383
Molecular Formula
C20H24N2O2S
Molecular Weight
356.48 g/mol
Controlled
No

Chemical Information

Hycanthone

Hycanthone is a thioxanthen-9-one compound having a hydroxymethyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. It was formerly used (particularly as the monomethanesulfonic acid salt) as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel. It has a role as a mutagen and a schistosomicide drug. It is functionally related to a lucanthone. It is a conjugate base of a hycanthone(1+).

CAS Number3105-97-3
PubChem CID3634
IUPAC Name1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one
Molecular FormulaC20H24N2O2S
Molecular Weight356.5
XLogP2.7
Topological Polar Surface Area77.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity443
SMILES
CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O
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
InChIKey
MFZWMTSUNYWVBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hycanthone
CAS: 3105-97-3
CID: 3634
Formula: C20H24N2O2S
MW: 356.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass356.15584919
Monoisotopic Mass356.15584919
Topological Polar Surface Area77.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity443
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3615328-01Hycanthone
HY-B1099R-01Hycanthone (Standard)

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