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Mitoxantrone-d8

CAT: 1596-AR-M02109-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-M02109-05Size:150
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CAS Number
1189974-82-0
Synonyms
1,4-dihydroxy-5,8-bis ((2- ((2-hydroxyethyl) amino) ethyl) amino) anthracene-9,10-dione-D8;1,4-Dihydroxy-5,8-bis[[2-[ (2-hydroxyethyl-d4) amino]ethyl]amino]-9,10-anthracenedione; 1,4-Bis[ (2- (2-hydroxyethylamino-d4) ethyl) amino]-5,8-dihydroxyanthraquinone; DHAQ-d8; Dihydroxyanthraquinone-d8; Mitox-d8; Mitoxanthrone-d8; Mitozantrone-d8; Nimitoxantron-d8; Novantron-d8; Novantrone-d8; Ralenova-d8; NSC 279836-d8; Mitoxantrone-d8
Molecular Formula
C22H20D8N4O6
Molecular Weight
452.54
API Name
Mitoxantrone

Chemical Information

Mitoxantrone-d8

See also: Mitoxantrone (annotation moved to); Mitoxantrone Hydrochloride (annotation moved to).

CAS Number1189974-82-0
PubChem CID45039947
IUPAC Name1,4-dihydroxy-5,8-bis[2-[(1,1,2,2-tetradeuterio-2-hydroxyethyl)amino]ethylamino]anthracene-9,10-dione
Molecular FormulaC22H28N4O6
Molecular Weight452.5
XLogP1
Topological Polar Surface Area163
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count32
Formal Charge0
Complexity571
SMILES
[2H]C([2H])(C([2H])([2H])O)NCCNC1=C2C(=C(C=C1)NCCNC([2H])([2H])C([2H])([2H])O)C(=O)C3=C(C=CC(=C3C2=O)O)O
InChI
InChI=1S/C22H28N4O6/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/i9D2,10D2,11D2,12D2
InChIKey
KKZJGLLVHKMTCM-PMCMNDOISA-N
Chemical Structure
2D Structure
2D structure of Mitoxantrone-d8
CAS: 1189974-82-0
CID: 45039947
Formula: C22H28N4O6
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP31
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass452.25109859
Monoisotopic Mass452.25109859
Topological Polar Surface Area163 Ų
Heavy Atom Count32
Formal Charge0
Complexity571
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-218858Mitoxantrone-d8
HY-13502ASMitoxantrone-d8 (dihydrochloride)
HY-13502AS1Mitoxantrone-d8 (hydrochloride)
sc-354091Mitoxantrone Acetate Labeled d8
FD26022-01Mitoxantrone

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