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Rifampin

View entire compound with spectra: 1 NMR, 2 FTIR, and 2 MS (GC)

Rifampin
SpectraBase Compound ID Dd5jRwIHAIo
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/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
InChIKey JQXXHWHPUNPDRT-WLSIYKJHSA-N
Mol Weight 823.0 g/mol
Molecular Formula C43H58N4O12
Exact Mass 822.405123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hRRNUXPCJQ
Name Rifamycin, 3-[[(4-methyl-1-piperazinyl)imino]methyl]-
CAS Registry Number 13292-46-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H58N4O12
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/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
InChIKey JQXXHWHPUNPDRT-WLSIYKJHSA-N
Molecular Weight 822.953 g/mol
SMILES O[C@@]1([C@]([C@]([C@]([C@@]([C@@]([C@](\C=C\O[C@]2(Oc3c(c4c(c(c3C)O)c(c(c(c4O)\C=N\N3CCN(CC3)C)NC(\C(=C/C=C/[C@@]1(C)[H])C)=O)O)C2=O)C)(OC)[H])(C)[H])(OC(=O)C)[H])(C)[H])(O)[H])(C)[H])[H]
SPLASH splash10-0kn2-9510000000-347b86133e4ec38c1c98
Source of Spectrum KO-18-303-2
Synonyms (9E,19E,21E)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[N-(4-methylpiperazin-1-yl)carboximidoyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1(4,7).0(5,28)]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl 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 (2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv. 2,7-(epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,11(2H)-dione, 21-(acetyloxy)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[(E)-[(4-methyl-1-piperazinyl)imino]methyl]-, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)- 3-(4-Methylpiperazinyliminomethyl)-rifamycin SV 3-([(4-methyl-1-piperazinyl)imino]methyl)rifamycin SV 3-[[(4-methyl-1-piperazinyl)imino]-methyl]rifamycin 5,6,9,17,19,21-Hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-(N-(4-methyl-1-piperazinyl)formimidoyl)-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione 21-acetate 8-[[(4-methyl-1-piperazinyl)imino[methyl]rifamycin 8-[[(4-methyl-1-piperazinyl)imino]methyl]rifamycin SV 8-[[(4-methylpiperazinyl)imino]methyl]rifamycin SV Abrifam Archidyn Arficin Arzide Benemicin Dione 21-acetate Doloresum Eremfat Famcin Fenampicin R-CIN R/AMP RAMP RFP RIF RIFA Rifadin Rifadin i.v. Rifadine Rifagen Rifaldazin Rifaldazine Rifaldin RIFAM Rifamor Rifampicin Rifampicin SV Rifampicina Rifampicine Rifampicinum Rifampin Rifamycin amp Rifaprodin Rifater Rifcin Rifinah Rifobac Rifoldin Rifoldine Rifomycin sv, 8-[N-(4-methyl-1-piperazinyl)formidoyl]- Riforal Rimactan Rimactane Rimactazid Rimactizid Rimazid RMP Sinerdol Tubocin AIDS-007228 BA 41166 BA 41166/E CCRIS 551 DRG-0109 EINECS 236-312-0 HSDB 3181 L-5103 LEPETIT NSC 113926
Wiley ID 1417453