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Substance Name: Lurbinectedin [INN]
RN: 497871-47-3
UNII: 2CN60TN6ZS
InChIKey: YDDMIZRDDREKEP-HWTBNCOESA-N

Note

  • A covalent DNA minor groove binder and antineoplastic.

Molecular Weight

  • 784.8826
 
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Names and Synonyms

Name of Substance

  • Lurbinectedin [INN]

Synonyms

  • Lurbinectedin
  • PM 01183
  • PM01183
  • UNII-2CN60TN6ZS

Registry Numbers

CAS Registry Number

  • 497871-47-3

FDA UNII

  • 2CN60TN6ZS

System Generated Number

  • 0497871473

Structure Descriptors

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

InChIKey

YDDMIZRDDREKEP-HWTBNCOESA-N

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