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Substance Name: 5'-(3-Methylpiperidinyl)benzoxazinorifamycin
RN: 105396-36-9
InChIKey: HHALXNYUFMNSNJ-VCLHBPEZSA-N

Molecular Formula

  • C49-H59-N3-O12

Molecular Weight

  • 882.0141
 
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Names and Synonyms

  • 5'-(3-Methylpiperidinyl)benzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 105396-36-9

System Generated Number

  • 0105396369

Structure Descriptors

InChI

1S/C49H59N3O12/c1-23-13-12-19-52(22-23)31-16-17-32-34(21-31)63-46-38(50-32)35-36-42(56)29(7)45-37(35)47(58)49(9,64-45)61-20-18-33(60-10)26(4)44(62-30(8)53)28(6)41(55)27(5)40(54)24(2)14-11-15-25(3)48(59)51-39(46)43(36)57/h11,14-18,20-21,23-24,26-28,33,40-41,44,54-56H,12-13,19,22H2,1-10H3,(H,51,59)/b14-11+,20-18+,25-15-/t23?,24-,26+,27+,28+,33-,40-,41+,44+,49-/m0/s1

InChIKey

HHALXNYUFMNSNJ-VCLHBPEZSA-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(ccc6nc35)N7CCCC(C7)C)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O