Doxorubicinol Hydrochloride (>90%)(Mixture of diastereomers)
Product Code
TRC-D558020
Product Format
Neat
Molecular Formula
C27H31NO11 • HCl
Molecular Weight
582.0
Product Categories
Oligosaccharides, TRC, Chiral Molecules , Pharmaceutical Reference Standards
Product Type
MetaboliteAlternate CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
Doxorubicinol hydrochloride (mixture of diastereomers)
Molecular Formula
C27H31NO11 • HCl
Molecular Weight
582.0
Accurate Mass
581.17
SMILES
O=C1C2=C(C(O)=C([C@@H2]([O][C@H2]3C[C@H](N)[C@H](O)[C@H](C)O3)C[C@@H]([C@H](O)CO)([OH])C4)C4=C2O)C(C5=C1C=CC=C5OC)=O.Cl
InChI
InChI=1S/C27H31NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,16+,17-,22+,27-;/m0./s1
IUPAC
(8S,10S)-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-8-((R)-1,2-dihydroxyethyl)-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dionehydrogen chloride
Alternate CAS Number
54193-28-1; S: 63950-05-0
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
Product Description
A metabolite of Doxorubicin as neoplasm inhibitor.
References: Smith, T.H.