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Substance Name: 3'-Hydroxy-5'-(dimethylamino)benzoxazinorifamycin
RN: 148235-90-9
InChIKey: GJEOMYNXMFYQTL-ZHTWFWEWSA-N

Molecular Formula

  • C45-H53-N3-O13

Molecular Weight

  • 843.9217
 
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Names and Synonyms

  • 3'-Hydroxy-5'-(dimethylamino)benzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 148235-90-9

System Generated Number

  • 0148235909

Structure Descriptors

InChI

1S/C45H53N3O13/c1-19-13-12-14-20(2)44(56)47-35-39(54)31-30(34-42(35)60-29-18-26(48(9)10)17-27(50)33(29)46-34)32-41(24(6)38(31)53)61-45(8,43(32)55)58-16-15-28(57-11)21(3)40(59-25(7)49)23(5)37(52)22(4)36(19)51/h12-19,21-23,28,36-37,40,50-53H,1-11H3,(H,47,56)/b13-12+,16-15+,20-14-/t19-,21+,22+,23+,28-,36-,37+,40+,45-/m0/s1

InChIKey

GJEOMYNXMFYQTL-ZHTWFWEWSA-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)N(C)C)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O