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Topixantrone

CAT: 0931-T28994-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T28994-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
156090-18-5
Target
Others
Related Pathways
Others
Bioactivity
Topixantrone, a DNA topoisomerase inhibitor, is used potentially for the treatment of gastric cancer and prostate cancer.
Smiles
N(CCN(C)C)C1=C2C=3C(C=4C(C2=O)=CC=NC4)=NN(CCNCCO)C3C=C1
Molecular Formula
C21H26N6O2
Molecular Weight
394.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Topixantrone

Topixantrone is a small molecule drug. Topixantrone has a monoisotopic molecular weight of 394.21 Da.

CAS Number156090-18-5
PubChem CID219022
IUPAC Name10-[2-(dimethylamino)ethylamino]-14-[2-(2-hydroxyethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
Molecular FormulaC21H26N6O2
Molecular Weight394.5
XLogP1.1
Topological Polar Surface Area95.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity561
SMILES
CN(C)CCNC1=C2C3=C(C=C1)N(N=C3C4=C(C2=O)C=CN=C4)CCNCCO
InChI
InChI=1S/C21H26N6O2/c1-26(2)10-8-24-16-3-4-17-19-18(16)21(29)14-5-6-23-13-15(14)20(19)25-27(17)11-7-22-9-12-28/h3-6,13,22,24,28H,7-12H2,1-2H3
InChIKey
ZHAKYGFJVGCOAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Topixantrone
CAS: 156090-18-5
CID: 219022
Formula: C21H26N6O2
MW: 394.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.5
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass394.21172409
Monoisotopic Mass394.21172409
Topological Polar Surface Area95.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity561
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
HY-105164Topixantrone
BUP01174-01Topixantrone 2HCl
HY-105164A-01Topixantrone (dihydrochloride)

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