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Dehydro Rifaximin

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CATAPS80621767
CAS80621-76-7
Structure
Synonyms6H-2,7-(Epoxypentadeca[1,11,13]trienonitrilo)benzofuro[4,5-e]pyrido[1,2-a]benzimidazole-1,6,15(2H)-trione, 25-(acetyloxy)-5,21,23-trihydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-, [2S-(2R*,16Z,18E,20R*,21R*,22S*,23S*,24S*,25R*,26S*,27R*,28E)]-, (2S,7Z,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,21,23-Trihydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,6,15-trioxo-1,2,6,7-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienonitrilo)[1]benzofuro-[4,5-e]pyrido[1,2-a]benzimidazol-25-yl acetate, Rifaximin Imp. G (EP), 6-O,14-Didehydrorifaximin
Molecular Weight783.86
Molecular FormulaC43H49N3O11
Canonical SMILESCO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)\C(=N/C(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)\c5c(nc6cc(C)ccn56)c4c3C2=O
InChIInChI=1S/C43H49N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-50H,1-10H3/b12-11+,17-15+,21-13-,45-33-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1
Accurate Mass783.3367
FormatNeat
ShippingDry ice
Size10MG
Storage Conditions-20°C Freezer
SubcategoryImpurity standards, Chiral molecules
TypeImpurity
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