Mitoxantrone Hydrochloride 500mg

CAT: 0628-A10596-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A10596-500Size:500 mg

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CAS Number

70476-82-3

Chemical Information

Mitoxantrone Hydrochloride

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

CAS Number	70476-82-3
PubChem CID	51082
IUPAC Name	1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;dihydrochloride
Molecular Formula	C22H30Cl2N4O6
Molecular Weight	517.4
Topological Polar Surface Area	163
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	12
Heavy Atom Count	34
Formal Charge	0
Complexity	571

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

CAS: 70476-82-3

CID: 51082

Formula: C22H30Cl2N4O6

MW: 517.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	517.4
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	12
Exact Mass	516.1542401
Monoisotopic Mass	516.1542401
Topological Polar Surface Area	163 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	571
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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