SN38 glucuronide carboxylate form

Molecular Formula: C₂₈H₂₉N₂O₁₂^-

InChI: InChI=1/C28H30N2O12/c1-3-12-13-7-11(41-26-22(34)20(32)21(33)23(42-26)25(36)37)5-6-17(13)29-19-14(12)9-30-18(19)8-16(15(10-31)24(30)35)28(40,4-2)27(38)39/h5-8,20-23,26,31-34,40H,3-4,9-10H2,1-2H3,(H,36,37)(H,38,39)/p-1/t20-,21-,22+,23-,26+,28-/m0/s1/fC28H29N2O12/h36H/q-1

InChIKey: InChIKey=QTDOSXMJZIEEDG-YIGOANNPDX
SMILES: CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC(=C(C4=O)CO)C(CC)(C(=O)[O-])O)OC5C(C(C(C(O5)C(=O)O)O)O)O

Names:
    C11375
    SN38 glucuronide carboxylate form

Registries:
    PubChem CID 443152
    PubChem ID 13549