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Substance Name: 5'-Diethylaminobenzoxazinorifamycin
RN: 105396-16-5
InChIKey: FNPIRSBLAUNKHM-PBMISMQYSA-N

Molecular Formula

  • C47-H57-N3-O12

Molecular Weight

  • 855.9763
 
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Names and Synonyms

  • 5'-Diethylaminobenzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 105396-16-5

System Generated Number

  • 0105396165

Structure Descriptors

InChI

1S/C47H57N3O12/c1-12-50(13-2)29-17-18-30-32(21-29)61-44-36(48-30)33-34-40(54)27(8)43-35(33)45(56)47(10,62-43)59-20-19-31(58-11)24(5)42(60-28(9)51)26(7)39(53)25(6)38(52)22(3)15-14-16-23(4)46(57)49-37(44)41(34)55/h14-22,24-26,31,38-39,42,52-54H,12-13H2,1-11H3,(H,49,57)/b15-14+,20-19+,23-16-/t22-,24+,25+,26+,31-,38-,39+,42+,47-/m0/s1

InChIKey

FNPIRSBLAUNKHM-PBMISMQYSA-N

Smiles

CCN(CC)c1ccc2c(c1)oc-3c4c(=O)c5c(c3n2)c6c(c(c5O)C)O[C@@](C6=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)N4)/C)C)O)C)O)C)OC(=O)C)C)OC)C