Mitoxantrone Impurity B

CAT: 0926-FM174914-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-FM174914-02Size:5 mg

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CAS Number

80189-44-2

Molecular Formula

C22H28N4O5

Molecular Weight

428.48 g/mol

Controlled

Chemical Information

1-Hydroxy-5,8-bis(2-((2-hydroxyethyl)amino)ethylamino)-9,10-anthracenedione

structure given in first source

CAS Number	80189-44-2
PubChem CID	133411
IUPAC Name	5-hydroxy-1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
Molecular Formula	C22H28N4O5
Molecular Weight	428.5
XLogP	1.4
Topological Polar Surface Area	143
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Heavy Atom Count	31
Formal Charge	0
Complexity	592

SMILES

C1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO

InChI

InChI=1S/C22H28N4O5/c27-12-10-23-6-8-25-15-4-5-16(26-9-7-24-11-13-28)20-19(15)21(30)14-2-1-3-17(29)18(14)22(20)31/h1-5,23-29H,6-13H2

InChIKey

KWAZOPYMFGJFGI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80189-44-2

CID: 133411

Formula: C22H28N4O5

MW: 428.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	428.5
XLogP3	1.4
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	428.20597001
Monoisotopic Mass	428.20597001
Topological Polar Surface Area	143 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	592
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	1
Compound Is Canonicalized	Yes

Catalog	Name
IM26023	Mitoxantrone (2-hydroxyethyl) piperazine impurity
FD26022-01	Mitoxantrone
FM61451-01	Mitoxantrone hydrochloride
HGA93013	Azathioprine impurity B
IT182020-01	Terbutaline impurity b
FM63790-01	Midazolam impurity B
IR168439-01	Roflumilast Impurity B
ID181506-01	Dorzolamide impurity B
IC181078-01	Cetirizine Impurity B
FT63834-01	Tadalafil impurity B

Catalog	Name
AR-M02106-01	Mitoxantrone Impurity A
017685	Mitoxantrone (2-Hydroxyethyl) piperazine Impurity (Mitoxantrone Impurity D)
RM-M091522-01	Mitoxantrone Impurity 22
RM-M091521-01	Mitoxantrone Impurity 21
RM-M091508-01	Mitoxantrone Impurity 8
RM-M091517-01	Mitoxantrone Impurity 17
RM-M091506-01	Mitoxantrone Impurity 6
RM-M091511-01	Mitoxantrone Impurity 11
RM-M091510-01	Mitoxantrone Impurity 10
AR-M02111-01	Mitoxantrone Impurity 2