Rifampicin

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Systematic / IUPAC Name: (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,26E)-2,15,17,29-Tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{[(4-methyl-1-piperazinyl)amino]methylene}-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~ 0~5,28~]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl acetate

ID: Reference2879

Other Names: Rifampin;
Rifaprodin;
Rifobac;
Abrifam;
Arficin ; more

Formula: C43H58N4O12

Class: Therapeutics/Prescription Drugs Endogenous Metabolites

Spectral Data

Rifampicin 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 Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 237
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/26/2015 1:55:52 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
InChI Key FZYOVNIOYYPUPY-ZTWDQPHTSA-N
Canonical SMILES CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C
CAS 13292461
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Other Names Rifampin;
Rifaprodin;
Rifobac;
Abrifam;
Arficin;
Arzide;
Rifadin;
5,6,9,17,19,21-Hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate;
2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-(N-(4-methyl-1-piperazinyl)formimidoyl)-, 21-acetate (8CI)

In Other Databases

ChemSpider 32821798
PubChem 5381226
Wikipedia Rifampicin