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Substance Name: 3'-Hydroxy-5'-(4-methyl-piperazin-1-yl)benzoxazinorifamycin
RN: 105396-59-6
InChIKey: JUYBFXMPGITYKT-ZZUAHCNISA-N

Molecular Formula

  • C48-H58-N4-O13

Molecular Weight

  • 899.0012
 
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Names and Synonyms

  • 3'-Hydroxy-5'-(4-methyl-piperazin-1-yl)benzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 105396-59-6

System Generated Number

  • 0105396596

Structure Descriptors

InChI

1S/C48H58N4O13/c1-22-12-11-13-23(2)47(60)50-38-42(58)34-33(37-45(38)64-32-21-29(20-30(54)36(32)49-37)52-17-15-51(9)16-18-52)35-44(27(6)41(34)57)65-48(8,46(35)59)62-19-14-31(61-10)24(3)43(63-28(7)53)26(5)40(56)25(4)39(22)55/h11-14,19-22,24-26,31,39-40,43,54-57H,15-18H2,1-10H3,(H,50,60)/b12-11+,19-14+,23-13-/t22-,24+,25+,26+,31-,39-,40+,43+,48-/m0/s1

InChIKey

JUYBFXMPGITYKT-ZZUAHCNISA-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(c2=O)c-5oc6cc(cc(c6nc35)O)N7CCN(CC7)C)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O