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Mitoxantrone HCl

CAT: 0013-GTR19153594-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153594-01Size:100 mg
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Description
Mitoxantrone HCl
CAS Number
70476-82-3
Field of Research
Apoptotic, Signaling Pathways
Purity
>99%
Smiles
O=C1C2=C (C (NCCNCCO) =CC=C2NCCNCCO) C (C3=C (O) C=CC (O) =C13) =O.[H]Cl.[H]Cl
Molecular Formula
C22H28N4O6
Molecular Weight
444.48
Notes
For research use only.

Chemical Information

Mitoxantrone Hydrochloride

Mitoxantrone Hydrochloride can cause cancer and developmental toxicity according to state or federal government labeling requirements.

CAS Number70476-82-3
PubChem CID51082
IUPAC Name1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;dihydrochloride
Molecular FormulaC22H30Cl2N4O6
Molecular Weight517.4
Topological Polar Surface Area163
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count34
Formal Charge0
Complexity571
SMILES
C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO.Cl.Cl
InChI
InChI=1S/C22H28N4O6.2ClH/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32;;/h1-4,23-30H,5-12H2;2*1H
InChIKey
ZAHQPTJLOCWVPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mitoxantrone Hydrochloride
CAS: 70476-82-3
CID: 51082
Formula: C22H30Cl2N4O6
MW: 517.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.4
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass516.1542401
Monoisotopic Mass516.1542401
Topological Polar Surface Area163 Ų
Heavy Atom Count34
Formal Charge0
Complexity571
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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