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Substance Name: 5'-Pyrrolidinylbenzoxazinorifamycin
RN: 105396-31-4
InChIKey: QZARLMIXRYNWGP-HZJASDJESA-N

Molecular Formula

  • C47-H55-N3-O12

Molecular Weight

  • 853.9605
 
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Names and Synonyms

  • 5'-Pyrrolidinylbenzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 105396-31-4

System Generated Number

  • 0105396314

Structure Descriptors

InChI

1S/C47H55N3O12/c1-22-13-12-14-23(2)46(57)49-37-41(55)34-33(36-44(37)61-32-21-29(15-16-30(32)48-36)50-18-10-11-19-50)35-43(27(6)40(34)54)62-47(8,45(35)56)59-20-17-31(58-9)24(3)42(60-28(7)51)26(5)39(53)25(4)38(22)52/h12-17,20-22,24-26,31,38-39,42,52-54H,10-11,18-19H2,1-9H3,(H,49,57)/b13-12+,20-17+,23-14-/t22-,24+,25+,26+,31-,38-,39+,42+,47-/m0/s1

InChIKey

QZARLMIXRYNWGP-HZJASDJESA-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)N7CCCC7)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O