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IUPAC Name: (7S,9S)-7-[(2S,4R,5R,6R)-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
Synonyms: Quelamycin ; Triferric adriamycin ; Triferric doxorubicin
Molecular Formula of Quelamycin (CAS NO.64719-39-7 ) : C27H27O11•2Fe(2+)•Fe(3+)
Structure Descriptors :
Smiles: [Fe+3].O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)C[C@@](O)(C(=O)CO)C[C@@H]5O[C@H]4O[C@@H]([C@H](O)[C@H](N)C4)C
Structure of Quelamycin (CAS NO.64719-39-7 ) :
Molecular Weight: 709.07 g/mol
Flash Point: 443.8 °C
Boiling Point: 810.3 °C at 760 mmHg
Enthalpy of Vaporization: 123.51 kJ/mol
Vapour Pressure: 9.64E-28 mmHg at 25°C
1. | dni-mus:leu 15 µmol/L | EJCAAH European Journal of Cancer. 14 (1978),1185. | ||
2. | ivn-hmn TDLo:60 mg/kg:BLD | CTRRDO Cancer Treatment Reports. 62 (1978),1527. | ||
3. | ipr-rat LD50:45 mg/kg | DRFUD4 Drugs of the Future. 4 (1979),356. | ||
4. | ivn-rat LD50:45 mg/kg | DRFUD4 Drugs of the Future. 4 (1979),356. | ||
5. | ipr-mus LD50:45 mg/kg | EJCAAH European Journal of Cancer. 14 (1978),1185. | ||
6. | ivn-mus LD50:45 mg/kg | DRFUD4 Drugs of the Future. 4 (1979),356. |
Poison by intravenous and intraperitoneal routes. Human systemic effects by intravenous route: blood effects. Mutation data reported. When heated to decomposition Quelamycin (CAS NO.64719-39-7 ) emits acrid smoke and irritating fumes. See also IRON DUST.
Classification Code of Quelamycin (CAS NO.64719-39-7 ) : Drug / Therapeutic Agent; Human Data; Mutation data; Organometallic