Lurbinectedin

More details:

• Systematic name

  (1R,1'R,2'R,3'R,11'S,12'S,14'R)-5',12'-Dihydroxy-6,6'-dimethoxy-7',21',30'-trimethyl-27'-oxo-2,3,4,9-tetrahydrospiro[beta-carboline-1,26'-[17,19,28]trioxa[24]thia[13,30]diazaheptacyclo[12.9.6.1~3,11~. 0~2,13~.0~4,9~.0~15,23~.0~16,20~]triaconta[4,6,8,15,20,22]hexaen]-22'-yl acetate

• SMILES

  Cc1cc2c(c(c1OC)O)[C@@H]3[C@@H]4[C@H]5c6c(c7c(c(c6OC(=O)C)C)OCO7)[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)c9c(c1cc(ccc1[nH]9)OC)CCN8

• Std. InChi

  InChI=1S/C41H44N4O10S/c1-17-11-20-12-25-39(48)45-26-14-52-40(49)41(38-22(9-10-42-41)23-13-21(50-5)7-8-24(23)43-38)15-56-37(31(45)30(44(25)4)27(20)32(47)33(17)51-6)29-28(26)36-35(53-16-54-36)18(2)34(29)55-19(3)46/h7-8,11,13,25-26,30-31,37,39,42-43,47-48H,9-10,12,14-16H2,1-6H3/t25-,26-,30+,31+,37+,39-,41+/m0/s1

• Std. InChIKey

  YDDMIZRDDREKEP-HWTBNCOESA-N

• Cite this record

  CSID:32701856, http://www.chemspider.com/Chemical-Structure.32701856.html (accessed 12:28, Mar 20, 2023)