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Substance Name: 3'-Hydroxy-5'-(piperazin-4-carbaldehyde)benzoxazinorifamycin
RN: 148235-98-7
InChIKey: FEZLSEXFGGHWST-DJYWDFGGSA-N

Molecular Formula

  • C48-H56-N4-O14

Molecular Weight

  • 912.9844
 
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Names and Synonyms

  • 3'-Hydroxy-5'-(piperazin-4-carbaldehyde)benzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 148235-98-7

System Generated Number

  • 0148235987

Structure Descriptors

InChI

1S/C48H56N4O14/c1-22-11-10-12-23(2)47(61)50-38-42(59)34-33(37-45(38)65-32-20-29(19-30(55)36(32)49-37)52-16-14-51(21-53)15-17-52)35-44(27(6)41(34)58)66-48(8,46(35)60)63-18-13-31(62-9)24(3)43(64-28(7)54)26(5)40(57)25(4)39(22)56/h10-13,18-22,24-26,31,39-40,43,55-58H,14-17H2,1-9H3,(H,50,61)/b11-10+,18-13+,23-12-/t22-,24+,25+,26+,31-,39-,40+,43+,48-/m0/s1

InChIKey

FEZLSEXFGGHWST-DJYWDFGGSA-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=O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O