Rifaximin

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Systematic / IUPAC Name: (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,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[23.10.1.1~4,7~ 0~5,35~ 0~26,34~ 0~27,32~]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl acetate

ID: Reference3446

Other Names: Fatroximin;
Flonorm;
Lumenax;
Redactiv;
Rifamixin ; more

Formula: C43H51N3O11

Class: Therapeutics/Prescription Drugs

Spectral Data

Rifaximin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP ; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 2202
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 11/30/2015 11:56:03 AM
View Mass Spec Data > >

Identificators

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-XRCRFVBUSA-N
Canonical SMILES CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)C
CAS 80621814
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Other Names Fatroximin;
Flonorm;
Lumenax;
Redactiv;
Rifamixin;
Rifamycin L 105;
Rifaxidin;
Rifaximinum;
Rifaximinun;
Ritacol;
Xifaxsan (TN);
(2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-Tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,15-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-25-yl acetate;
Rifaximine

In Other Databases

HMDb HMDB15351
Wikipedia Rifaximin
DrugBank DB01220
ChEBI CHEBI:75246
KEGG D02554
PubChem 6436173
ChemSpider 10482302