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Substance Name: Rifazacyclo 13
RN: 52474-38-1
InChIKey: HVSLFZZUHGKNLQ-XJLVUENRSA-N

Molecular Formula

  • C50-H71-N3-O12

Molecular Weight

  • 906.1199
 
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Names and Synonyms

Results Name

  • Rifazacyclo 13

Synonyms

  • NSC 166134
  • Rifazacyclo 13

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 52474-38-1

System Generated Number

  • 0052474381

Structure Descriptors

InChI

1S/C50H71N3O12/c1-28-21-20-22-29(2)49(61)52-40-35(27-51-53-24-18-16-14-12-10-11-13-15-17-19-25-53)44(58)37-38(45(40)59)43(57)33(6)47-39(37)48(60)50(8,65-47)63-26-23-36(62-9)30(3)46(64-34(7)54)32(5)42(56)31(4)41(28)55/h20-23,26-28,30-32,36,41-42,46,55-59H,10-19,24-25H2,1-9H3,(H,52,61)/b21-20+,26-23+,29-22-,51-27+/t28-,30+,31+,32+,36-,41-,42+,46+,50-/m0/s1

InChIKey

HVSLFZZUHGKNLQ-XJLVUENRSA-N

Smiles

Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)/C=N/N5CCCCCCCCCCCC5)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O