Carminazine
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-[N-[1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]-C-methylcarbonimidoyl]-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione;dihydrochloride
Also Known As: Carminazine
| Molecular Formula | C52H56Cl2N4O18 |
|---|---|
| Molecular Weight | 1094.2966 g/mol |
| LogP | 2.9678 |
| Topological Polar Surface Area | 384.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 7 |
| Exact Mass | 1094.2966 |
| Monoisotopic Mass | 1094.2966 |
| Heavy Atoms | 76 |
| Complexity | 2100.0 |
Chemical Identifiers
| CAS Number | 79862-95-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(=NN=C(C)C6(CC(C7=C(C6)C(=C8C(=C7O)C(=O)C9=C(C8=O)C=CC=C9O)O)OC1CC(C(C(O1)C)O)N)O)C)O)N)O.Cl.Cl |
| InChIKey | GFFMDWVTTRHUKE-UHFFFAOYSA-N |
Product Overview
Carminazine (CAS 79862-95-6), with molecular formula C52H56Cl2N4O18 and molecular weight 1094.2966 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-[N-[1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]-C-methylcarbonimidoyl]-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione;dihydrochloride.
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