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Substance Name: Rifaprim
RN: 61498-94-0
InChIKey: OAQNFXSSXAJMTL-PPJQWWMSSA-N

Molecular Weight

  • 1113.27
 
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Names and Synonyms

Name of Substance

  • Rifaprim

Synonyms

  • Rifamethoprim
  • Tuboprim

Systematic Name

  • 3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin, mixt. with 5-((3,4,5-trimethoxyphenyl) methyl)-2,4-pyrimidinediamine

Registry Numbers

CAS Registry Number

  • 61498-94-0

System Generated Number

  • 0061498940

Structure Descriptors

InChI

1S/C43H58N4O12.C14H18N4O3/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49;1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55);5-7H,4H2,1-3H3,(H4,15,16,17,18)/b12-11+,19-14+,22-13-,44-20+;/t21-,23+,24+,25+,29-,34-,35+,39+,43-;/m0./s1

InChIKey

OAQNFXSSXAJMTL-PPJQWWMSSA-N

Smiles

c1(nc(c(Cc2cc(OC)c(c(c2)OC)OC)cn1)N)N.c12c(c(O)c3c4c(c(c(O)c3c2O)C)O[C@](C)(C4=O)OC=C[C@H](OC)[C@@H](C)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C=CC=C(C)C(=O)N1)C)OC(=O)C)\C=N\N1CCN(C)CC1