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Substance Name: Rifamycin, 3-((2-((aminoiminomethyl)amino)ethyl)thio)-
RN: 15299-46-4
InChIKey: JANVVCQPABHELP-ZLOQRVKUSA-N

Molecular Formula

  • C40-H54-N4-O12-S

Molecular Weight

  • 814.9486
 
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Names and Synonyms

Synonym

  • 3-Thioether of rifamycin SV

Systematic Name

  • Rifamycin, 3-((2-((aminoiminomethyl)amino)ethyl)thio)-

Registry Numbers

CAS Registry Number

  • 15299-46-4

System Generated Number

  • 0015299464

Structure Descriptors

InChI

1S/C40H54N4O12S/c1-17-11-10-12-18(2)38(52)44-28-32(49)26-25(33(50)36(28)57-16-14-43-39(41)42)27-35(22(6)31(26)48)56-40(8,37(27)51)54-15-13-24(53-9)19(3)34(55-23(7)45)21(5)30(47)20(4)29(17)46/h10-13,15,17,19-21,24,29-30,34,46-50H,14,16H2,1-9H3,(H,44,52)(H4,41,42,43)/b11-10+,15-13+,18-12-/t17-,19+,20+,21+,24-,29-,30+,34+,40-/m0/s1

InChIKey

JANVVCQPABHELP-ZLOQRVKUSA-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)SCCNC(=N)N)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O