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Pixantrone

CAT: 0607-B3454-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B3454-50Size:50 mg
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Description
experimental antineoplastic drug
CAS Number
144510-96-3
Product Name Alternative
6,9-bis((2-aminoethyl)amino)benzo[g]isoquinoline-5,10-dione
Solubility
Soluble in DMSO
Smiles
NCCNC1=C(C(C2=CC=NC=C2C3=O)=O)C3=C(NCCN)C=C1
Molecular Formula
C17H19N5O2
Molecular Weight
325.37
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Pixantrone

Pixantrone is a member of isoquinolines.

CAS Number144510-96-3
PubChem CID134019
IUPAC Name6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione
Molecular FormulaC17H19N5O2
Molecular Weight325.4
XLogP1
Topological Polar Surface Area123
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity472
SMILES
C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C2=O)C=NC=C3)NCCN
InChI
InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2
InChIKey
PEZPMAYDXJQYRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pixantrone
CAS: 144510-96-3
CID: 134019
Formula: C17H19N5O2
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP31
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass325.15387487
Monoisotopic Mass325.15387487
Topological Polar Surface Area123 Ų
Heavy Atom Count24
Formal Charge0
Complexity472
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-13727A-01Pixantrone
462726-01Pixantrone Bismaleinamide
1958-25Pixantrone maleate
A13022-100Pixantrone 100mg
A13022-50Pixantrone 50mg
GTR19217395-01Pixantrone dimaleate
GTR19187203-01Pixantrone hydrochloride
HY-13727AR-01Pixantrone (Standard)
A13022-10Pixantrone 10mg
HY-13727BPixantrone (hydrochloride)

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