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Lucanthone

CAT: 0607-BA2068-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2068-50Size:50 mg
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CAS Number
479-50-5
Form
A solid
Molecular Formula
C20H24N2OS
Molecular Weight
340.48
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Lucanthone

Lucanthone is a thioxanthen-9-one compound having a methyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. Formerly used for the treatment of schistosomiasis. It is a prodrug, being metabolised to hycanthone. It has a role as a mutagen, an antineoplastic agent, a schistosomicide drug, a photosensitizing agent, a prodrug, an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor and an adjuvant.

CAS Number479-50-5
PubChem CID10180
IUPAC Name1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one
Molecular FormulaC20H24N2OS
Molecular Weight340.5
XLogP4
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity426
SMILES
CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O
InChI
InChI=1S/C20H24N2OS/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
InChIKey
FBQPGGIHOFZRGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lucanthone
CAS: 479-50-5
CID: 10180
Formula: C20H24N2OS
MW: 340.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass340.16093457
Monoisotopic Mass340.16093457
Topological Polar Surface Area57.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity426
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
FL161255-01Lucanthone
T4569L-01Lucanthone hydrochloride
HY-B2098R-01Lucanthone (Standard)
HY-B2098ALucanthone (hydrochloride)
HY-133795Lucanthone N-oxide
sc-477145Lucanthone-d4 hydrochloride

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