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Substance Name: 3'-Hydroxy-5'-((4-(2-methoxy-ethyl))-1-piperazinyl)benzoxazinorifamycin
RN: 148236-01-5
InChIKey: HJGAHDUXISENKJ-JKHNNBSWSA-N

Molecular Formula

  • C50-H62-N4-O14

Molecular Weight

  • 943.0538
 
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Names and Synonyms

  • 3'-Hydroxy-5'-((4-(2-methoxy-ethyl))-1-piperazinyl)benzoxazinorifamycin

Registry Numbers

CAS Registry Number

  • 148236-01-5

System Generated Number

  • 0148236015

Structure Descriptors

InChI

1S/C50H62N4O14/c1-24-12-11-13-25(2)49(62)52-40-44(60)36-35(39-47(40)67-34-23-31(22-32(56)38(34)51-39)54-17-15-53(16-18-54)19-21-63-9)37-46(29(6)43(36)59)68-50(8,48(37)61)65-20-14-33(64-10)26(3)45(66-30(7)55)28(5)42(58)27(4)41(24)57/h11-14,20,22-24,26-28,33,41-42,45,56-59H,15-19,21H2,1-10H3,(H,52,62)/b12-11+,20-14+,25-13-/t24-,26+,27+,28+,33-,41-,42+,45+,50-/m0/s1

InChIKey

HJGAHDUXISENKJ-JKHNNBSWSA-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)N7CCN(CC7)CCOC)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O