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Substance Name: Rifamycin, 3-((azacyclohexadec-1-ylimino)methyl)-
RN: 41059-89-6
InChIKey: QQDKRBIOIQVENR-BJZPKAJNSA-N

Molecular Formula

  • C53-H77-N3-O12

Molecular Weight

  • 948.2
 
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Names and Synonyms

Synonyms

  • NSC 179832
  • RC-16

Systematic Name

  • Rifamycin, 3-((azacyclohexadec-1-ylimino)methyl)-

Registry Numbers

CAS Registry Number

  • 41059-89-6

System Generated Number

  • 0041059896

Structure Descriptors

InChI

1S/C53H77N3O12/c1-31-24-23-25-32(2)52(64)55-43-38(30-54-56-27-21-19-17-15-13-11-10-12-14-16-18-20-22-28-56)47(61)40-41(48(43)62)46(60)36(6)50-42(40)51(63)53(8,68-50)66-29-26-39(65-9)33(3)49(67-37(7)57)35(5)45(59)34(4)44(31)58/h23-26,29-31,33-35,39,44-45,49,58-62H,10-22,27-28H2,1-9H3,(H,55,64)/b24-23+,29-26+,32-25-,54-30+/t31-,33+,34+,35+,39-,44-,45+,49+,53-/m0/s1

InChIKey

QQDKRBIOIQVENR-BJZPKAJNSA-N

Smiles

c12c3O[C@@](C2=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H](O)[C@H](C=CC=C(C(Nc2c(c(c1c(c2O)c(c3C)O)O)\C=N\N1CCCCCCCCCCCCCCC1)=O)C)C)C)O)C)OC(=O)C)C)OC)C