Seco-Duocarmycin SA
[CAS# 152785-82-5]

Identification

• Name: Seco-Duocarmycin SA
• Synonyms: (S)-Methyl 8-(chloromethyl)-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
• Molecular Formula: C₂₅H₂₄ClN₃O₇
• Molecular Weight: 513.93
• CAS Registry Number: 152785-82-5
• SMILES: O=C(OC)c2nc1c(O)cc3c(c1c2)[C@@H](CN3C(=O)c5cc4cc(OC)c(OC)c(OC)c4n5)CCl
• InChI: 1S/C25H24ClN3O7/c1-33-18-6-11-5-14(27-20(11)23(35-3)22(18)34-2)24(31)29-10-12(9-26)19-13-7-15(25(32)36-4)28-21(13)17(30)8-16(19)29/h5-8,12,27-28,30H,9-10H2,1-4H3/t12-/m1/s1
• InChIKey: SDJNZXKVYYJDDM-GFCCVEGCSA-N