rifampicin
Chemical Formula:
C43H58N4O12
Molecular Weight:
822.951 Daltons
Monoisotopic Mass:
823.4129483799 Daltons
SMILES:
CC3(C(O)C(C)C(O)C(C)C(OC(=O)C)C(C)C(OC)C=COC1(C)(OC5(C(C(=O)1)=C4(C(O)=C(C=NN2(CC[N+](C)CC2))C(NC(=O)C(C)=CC=C3)=C(O)C4=C([O-])C(C)=5))))
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:
Synonyms
- rifampin
- 3-[(4-methylpiperazin-1-yl)iminomethyl]rifamycin
Databases
MetaCyc:
CPD-18727
RefMet:
Rifampicin
ChEBI:
71365
Seed:
cpd04089
HMDB:
HMDB15179
MetaNetX:
MNXM80952
KEGG:
C06688