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Carminomycin

CAT: 1596-AR-C01486-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
39472-31-6
Synonyms
(8S,10S) -8-acetyl-10- (((2R,4S,5S,6S) -4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -1,6,8,11-tetrahydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione; Carminomicin; NSC 180024; O-Demethyldaunomycin
Molecular Formula
C26H27NO10
Molecular Weight
513.5
API Name
Carminomycin

Chemical Information

Carubicin

Carminomycin is a toxic anthracycline antibiotic that is produced by Actinomadura carminata and also has potent antineoplastic activity. It has a role as an antineoplastic agent and an apoptosis inducer. It is a tertiary alpha-hydroxy ketone, an aminoglycoside antibiotic, a member of p-quinones, an anthracycline antibiotic and a member of tetracenequinones. It is a conjugate base of a carminomycin(1+). It derives from a hydride of a tetracene.

CAS Number39472-31-6
PubChem CID443831
IUPAC Name(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Molecular FormulaC26H27NO10
Molecular Weight513.5
XLogP1.5
Topological Polar Surface Area197
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count37
Formal Charge0
Complexity944
SMILES
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(=O)C)O)N)O
InChI
InChI=1S/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/t9-,13-,15-,16-,21+,26-/m0/s1
InChIKey
XREUEWVEMYWFFA-CSKJXFQVSA-N
Chemical Structure
2D Structure
2D structure of Carubicin
CAS: 39472-31-6
CID: 443831
Formula: C26H27NO10
MW: 513.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.5
XLogP31.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass513.16349606
Monoisotopic Mass513.16349606
Topological Polar Surface Area197 Ų
Heavy Atom Count37
Formal Charge0
Complexity944
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS6091471-01Carminomycin
MBS6109326-0114-Hydroxy Carminomycin Oxalate
01354814-Hydroxy Carminomycin Oxalate discontinued

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