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Substance Name: Rifamycin, 3-((2-(3-carboxy-1-oxopropoxy)ethyl)thio)-1,4-dideoxy-1,4-dihydro-1,4-dioxo-
RN: 191152-90-6
InChIKey: SHUCZWGLWWCLAY-FGOORJQKSA-N

Molecular Formula

  • C43-H53-N-O16-S

Molecular Weight

  • 871.9487
 
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Names and Synonyms

  • Rifamycin, 3-((2-(3-carboxy-1-oxopropoxy)ethyl)thio)-1,4-dideoxy-1,4-dihydro-1,4-dioxo-

Registry Numbers

CAS Registry Number

  • 191152-90-6

System Generated Number

  • 0191152906

Structure Descriptors

InChI

1S/C43H53NO16S/c1-19-11-10-12-20(2)42(55)44-32-36(52)30-29(37(53)40(32)61-18-17-57-28(48)14-13-27(46)47)31-39(24(6)35(30)51)60-43(8,41(31)54)58-16-15-26(56-9)21(3)38(59-25(7)45)23(5)34(50)22(4)33(19)49/h10-12,15-16,19,21-23,26,33-34,38,49-51H,13-14,17-18H2,1-9H3,(H,44,55)(H,46,47)/b11-10+,16-15+,20-12-/t19-,21+,22+,23+,26-,33-,34+,38+,43-/m0/s1

InChIKey

SHUCZWGLWWCLAY-FGOORJQKSA-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(=C(C3=O)SCCOC(=O)CCC(=O)O)C2=O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O