Name | Nemorubicin |
Iupac Chemical Name | (8S,10S)-6,8,11-trihydroxy-10-(((2R,4S,5S,6S)-5-hydroxy-4-((S)-2-methoxymorpholino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione. |
Synonyms | PNU152243A; PNU-152243A; PNU 152243A; Nemorubicin, methoxymorpholinyl-doxorubicin |
Molecular Formula | C32H37NO13 |
Molecular Weight | 643.63 |
Smile | O=C1C2=C(O)C(C[C@](C(CO)=O)(O)C[C@@H]3O[C@H]4C[C@H](N5C[C@@H](OC)OCC5)[C@H](O)[C@H](C)O4)=C3C(O)=C2C(C6=C1C=CC=C6OC)=O |
InChiKey | CTMCWCONSULRHO-UHQPFXKFSA-N |
InChi | InChI=1S/C32H37NO13/c1-14-27(36)17(33-7-8-44-22(12-33)43-3)9-21(45-14)46-19-11-32(41,20(35)13-34)10-16-24(19)31(40)26-25(29(16)38)28(37)15-5-4-6-18(42-2)23(15)30(26)39/h4-6,14,17,19,21-22,27,34,36,38,40-41H,7-13H2,1-3H3/t14-,17-,19-,21-,22-,27+,32-/m0/s1 |
CAS Number | 108852-90-0 |
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