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Substance Name: Krm 1657
RN: 133633-12-2
InChIKey: KDFFQLYROXGQFM-VDPAUJFTSA-N

Molecular Weight

  • 927.0548
 
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Names and Synonyms

Name of Substance

  • Krm 1657

Synonyms

  • 3'-Hydroxy-5'-(4-propylpiperazinyl)benzoxazinorifamycin
  • Krm-1657

Systematic Name

  • Rifamycin VIII, 1',4-didehydro-1-deoxy-1,4-dihydro-3'-hydroxy-1-oxo-5'-(4-propyl-1-piperazinyl)-

Registry Numbers

CAS Registry Number

  • 133633-12-2

System Generated Number

  • 0133633122

Structure Descriptors

InChI

1S/C50H62N4O13/c1-11-16-53-17-19-54(20-18-53)31-22-32(56)38-34(23-31)66-47-39(51-38)35-36-43(59)29(7)46-37(35)48(61)50(9,67-46)64-21-15-33(63-10)26(4)45(65-30(8)55)28(6)42(58)27(5)41(57)24(2)13-12-14-25(3)49(62)52-40(47)44(36)60/h12-15,21-24,26-28,33,41-42,45,56-59H,11,16-20H2,1-10H3,(H,52,62)/b13-12+,21-15+,25-14-/t24-,26+,27+,28+,33-,41-,42+,45+,50-/m0/s1

InChIKey

KDFFQLYROXGQFM-VDPAUJFTSA-N

Smiles

CCCN1CCN(CC1)c2cc(c3c(c2)oc-4c5c(=O)c6c(c4n3)c7c(c(c6O)C)O[C@@](C7=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)N5)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O