Iododoxorubicin

cas: 83997-75-5 — see every product listed under this CAS number, including other names

Iododoxorubicin (CAS 83997-75-5) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-101003-Get quote
cas83997-75-5
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properties

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

4'-deoxy-4'-iododoxorubicin is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone and an organoiodine compound. It is functionally related to a doxorubicin. It is a conjugate base of a 4'-deoxy-4'-iododoxorubicinium.

Source: ChEBI

Identity
Molecular formulaC27H28INO10
Molecular weight653.4 g/mol
IUPAC name(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-iodo-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
InChIKeyPDQGEKGUTOTUNV-TZSSRYMLSA-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)I

Computed by PubChem (NCBI)

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