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Substance Name: 5'-Bis(2-ethoxyethyl)aminobenzoxazinorifamycin
RN: 105396-22-3
InChIKey: HDPCSQABTRQTBC-LMAFRRIDSA-N

Molecular Formula

  • C51-H65-N3-O14

Molecular Weight

  • 944.0815
 
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Names and Synonyms

  • 5'-Bis(2-ethoxyethyl)aminobenzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 105396-22-3

System Generated Number

  • 0105396223

Structure Descriptors

InChI

1S/C51H65N3O14/c1-12-63-23-20-54(21-24-64-13-2)33-17-18-34-36(25-33)67-48-40(52-34)37-38-44(58)31(8)47-39(37)49(60)51(10,68-47)65-22-19-35(62-11)28(5)46(66-32(9)55)30(7)43(57)29(6)42(56)26(3)15-14-16-27(4)50(61)53-41(48)45(38)59/h14-19,22,25-26,28-30,35,42-43,46,56-58H,12-13,20-21,23-24H2,1-11H3,(H,53,61)/b15-14+,22-19+,27-16-/t26-,28+,29+,30+,35-,42-,43+,46+,51-/m0/s1

InChIKey

HDPCSQABTRQTBC-LMAFRRIDSA-N

Smiles

CCOCCN(CCOCC)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