Chem
J-GLOBAL ID：200907087785981594   Nikkaji number：J171.233K

Rifaximin

リファキシミン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C43H51N3O11
Molecular formula furigana： C43-H51-N3-O11
Molecular weight： 785.891
InChI： InChI=1S/C43H51N3O11/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/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11-,17-15-,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1
InChI key： NZCRJKRKKOLAOJ-LGPAXTBISA-N
SMILES： CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2c4nc5cc(C)ccn5c4c(NC(=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)c(O)c2c(O)c3C
Systematic name  (4)：
  • (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-25-アセチルオキシ-5,6,21,23-テトラヒドロキシ-27-メトキシ-2,4,11,16,20,22,24,26-オクタメチル-2,7-(エポキシペンタデカ[1,11,13]トリエニミノ)ベンゾフロ[4,5-e]ピリド[1,2-a]ベンゾイミダゾール-1,15(2H)-ジオン
  • (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-25-(アセチルオキシ)-5,6,21,23-テトラヒドロキシ-27-メトキシ-2,4,11,16,20,22,24,26-オクタメチル-2,7-(エポキシペンタデカ[1,11,13]トリエニミノ)-ベンゾフロ[4,5-e]ピリド[1,2-a]ベンゾイミダゾール-1,15(2H)-ジオン
  • (7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,36-テトラヒドロキシ-11-メトキシ-3,7,12,14,16,18,22,30-オクタメチル-6,23-ジオキソ-8,37-ジオキサ-24,27,33-トリアザヘキサシクロ[23.10.1.14,7.05,35.026,34.027,32]ヘプタトリアコンタ-1,3,5(35),9,19,21,25(36),26(34),28,30,32-ウンデカエン-13-イル アセタート
  • (7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1,3,5(35),9,19,21,25(36),26(34),28,30,32-undecaen-13-yl acetate
Other name (19)：
  • リファマイシンL-105SV
  • L-105SV
  • Rifaximin
  • Rifamycin L-105SV
  • リファキシミン
Show all
CAS registry number： 80621-81-4
KEGG DRUG： D02554
Application (1)：
antibacterial drug
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