Stereochemistry | ABSOLUTE |
Molecular Formula | C29H31NO11S |
Molecular Weight | 601.622 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H]1O[C@H](C[C@@H]([C@@H]1OS(C)(=O)=O)N2CC2)O[C@H]3C[C@@](O)(CC4=C3C(O)=C5C(=O)C6=CC=CC=C6C(=O)C5=C4O)C(C)=O
InChI
InChIKey=VMDWTZZCNDEKIO-CBNJBKGYSA-N
InChI=1S/C29H31NO11S/c1-13-28(41-42(3,37)38)18(30-8-9-30)10-20(39-13)40-19-12-29(36,14(2)31)11-17-21(19)27(35)23-22(26(17)34)24(32)15-6-4-5-7-16(15)25(23)33/h4-7,13,18-20,28,34-36H,8-12H2,1-3H3/t13-,18-,19-,20-,28+,29-/m0/s1
LADIRUBICIN is an idarubicin derivative with potential antineoplastic activity. Its primary effect is a DNA alkylation with sequence specificity similar to that of conventional nitrogen mustards. It possesses a wide spectrum antitumor activity against rapidly proliferating murine leukemias and on slowly growing transplantable human tumor xenografts.