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Substance Name: Birinapant [USAN:INN]
RN: 1260251-31-7
UNII: 6O4Z07B57R
InChIKey: PKWRMUKBEYJEIX-DXXQBUJASA-N

Note

  • A Smac mimetic with antineoplastic activity.

Molecular Weight

  • 806.9504
 
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Names and Synonyms

Name of Substance

  • Birinapant [USAN:INN]

Synonyms

  • Birinapant
  • TL 32711
  • UNII-6O4Z07B57R

Registry Numbers

CAS Registry Number

  • 1260251-31-7

FDA UNII

  • 6O4Z07B57R

System Generated Number

  • 1260251317

Structure Descriptors

InChI

1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1

InChIKey

PKWRMUKBEYJEIX-DXXQBUJASA-N

Smiles

CC[C@@H](C(=O)N1C[C@H](C[C@H]1Cc2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C@@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H](C)NC)O)F)O)NC(=O)[C@H](C)NC