Products 56420-45-2

CAS 56420-45-2 appears in our catalog under these names: Epirubicin, 95%, Epirubicin, (8S,10S)-10-(((2R,4S,5R,6S)-4-Amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione, 98%, 98%, Epirubicin, 99.11%. Offered by: Combi-blocks, Chemat Brand, Chemat, MedChemExpress. Available pack sizes: 1g, 250mg, on request, 5mg, 25mg, 500mg, 10mg, 100mg.

Structural formula: {0} (CAS {1})

4'-epidoxorubicin is an anthracycline that is the 4'-epi-isomer of doxorubicin. It has a role as an antimicrobial agent, an antineoplastic agent and an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor. It is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a member of p-quinones, a deoxy hexoside, an aminoglycoside, an anthracycline, an anthracycline antibiotic and a monosaccharide derivative. It is functionally related to a doxorubicin. It is a conjugate base of a 4'-epidoxorubicinium.

Source: ChEBI

Identity
Molecular formulaC27H29NO11
Molecular weight543.5 g/mol
IUPAC name(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
InChIKeyAOJJSUZBOXZQNB-VTZDEGQISA-N
SMILESC[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)OC)O)(C(=O)CO)O)N)O

Computed by PubChem (NCBI)