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Substance Name: Rifamycin, 3-((2-aminoethyl)thio)-
RN: 13724-90-8
InChIKey: CDTZUJGBFABJDP-RHGWMRLMSA-N

Molecular Formula

  • C39-H52-N2-O12-S

Molecular Weight

  • 772.9078
 
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Names and Synonyms

Synonym

  • 3-Thioether of rifamycin SV

Systematic Name

  • Rifamycin, 3-((2-aminoethyl)thio)-

Registry Numbers

CAS Registry Number

  • 13724-90-8

System Generated Number

  • 0013724908

Structure Descriptors

InChI

1S/C39H52N2O12S/c1-17-11-10-12-18(2)38(49)41-28-32(46)26-25(33(47)36(28)54-16-14-40)27-35(22(6)31(26)45)53-39(8,37(27)48)51-15-13-24(50-9)19(3)34(52-23(7)42)21(5)30(44)20(4)29(17)43/h10-13,15,17,19-21,24,29-30,34,43-47H,14,16,40H2,1-9H3,(H,41,49)/b11-10+,15-13+,18-12-/t17-,19+,20+,21+,24-,29-,30+,34+,39-/m0/s1

InChIKey

CDTZUJGBFABJDP-RHGWMRLMSA-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)SCCN)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O