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Substance Name: R 761
RN: 57184-22-2
InChIKey: XUBKCCSAVNRWOX-BVHPQESASA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C45-H63-N3-O12

Molecular Weight

  • 838.002
 
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Names and Synonyms

Name of Substance

  • R 761

Synonyms

  • 3-(4-Isobutyl-1-piperazinyl)rifamycin
  • BRN 1069385
  • R 76-1
  • Rifandin

Systematic Name

  • Rifamycin, 3-(4-(2-methylpropyl)-1-piperazinyl)-

Registry Numbers

CAS Registry Number

  • 57184-22-2

System Generated Number

  • 0057184222

Structure Descriptors

InChI

1S/C45H63N3O12/c1-22(2)21-47-16-18-48(19-17-47)35-34-39(53)32-31(40(35)54)33-42(28(8)38(32)52)60-45(10,43(33)55)58-20-15-30(57-11)25(5)41(59-29(9)49)27(7)37(51)26(6)36(50)23(3)13-12-14-24(4)44(56)46-34/h12-15,20,22-23,25-27,30,36-37,41,50-54H,16-19,21H2,1-11H3,(H,46,56)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,36-,37+,41+,45-/m0/s1

InChIKey

XUBKCCSAVNRWOX-BVHPQESASA-N

Smiles

c12c3O[C@@](OC=C[C@@H]([C@@H](C)[C@H]([C@@H]([C@@H]([C@@H]([C@@H](O)[C@H](C=CC=C(C(Nc4c(c(c1c(c4O)c(O)c3C)O)N1CCN(CC1)CC(C)C)=O)C)C)C)O)C)OC(=O)C)OC)(C)C2=O