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Substance Name: 3'-Hydroxy-5'-azetidinbenzoxazinorifamycin
RN: 148235-96-5
InChIKey: HBQFIALGUVDVME-APVFNDAUSA-N

Molecular Formula

  • C46-H53-N3-O13

Molecular Weight

  • 855.9327
 
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Names and Synonyms

  • 3'-Hydroxy-5'-azetidinbenzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 148235-96-5

System Generated Number

  • 0148235965

Structure Descriptors

InChI

1S/C46H53N3O13/c1-20-12-10-13-21(2)45(57)48-36-40(55)32-31(35-43(36)61-30-19-27(49-15-11-16-49)18-28(51)34(30)47-35)33-42(25(6)39(32)54)62-46(8,44(33)56)59-17-14-29(58-9)22(3)41(60-26(7)50)24(5)38(53)23(4)37(20)52/h10,12-14,17-20,22-24,29,37-38,41,51-54H,11,15-16H2,1-9H3,(H,48,57)/b12-10+,17-14+,21-13-/t20-,22+,23+,24+,29-,37-,38+,41+,46-/m0/s1

InChIKey

HBQFIALGUVDVME-APVFNDAUSA-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)N7CCC7)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O