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Substance Name: Rivicycline
RN: 130030-59-0
InChIKey: DZOJOYNHNIMCFX-FMVYSWHESA-M

Molecular Formula

  • C43-H58-N4-O12.C22-H24-N2-O8.C17-H20-N4-O6.C12-H17-N4-O-S.Cl-H

Molecular Weight

  • 1944.5641
 
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Names and Synonyms

Name of Substance

  • Rivicycline

Synonyms

  • 3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin mixt. with (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride
  • Rivicycline

Systematic Name

  • Rifamycin, 3-(((4-methyl-1-piperazinyl)imino)methyl)-, mixt. with 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium chloride, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide and riboflavin

Registry Numbers

CAS Registry Number

  • 130030-59-0

System Generated Number

  • 0130030590

Molecular Formulas

Molecular Formula

  • C43-H58-N4-O12.C22-H24-N2-O8.C17-H20-N4-O6.C12-H17-N4-O-S.Cl-H

Molecular Formula Fragments

  • C12-H17-N4-O-S
  • C17-H20-N4-O6
  • C22-H24-N2-O8
  • C43-H58-N4-O12
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C43H58N4O12.C22H24N2O8.C17H20N4O6.C12H17N4OS.ClH/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;1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15;1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55);4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27);5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q;;;+1;/p-1/b12-11+,19-14+,22-13-,44-20+;;;;/t21-,23+,24+,25+,29-,34-,35+,39+,43-;9-,10-,15-,21+,22-;11-,12+,14-;;/m001../s1

InChIKey

DZOJOYNHNIMCFX-FMVYSWHESA-M

Smiles

Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C[C@H]([C@H]([C@H](CO)O)O)O.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)/C=N/N5CCN(CC5)C)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O.Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO.C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O.[Cl-]