Rifampin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 608
Total Number of Articles : 1490
PubChem 137286743
Molecular Formula

C43H58N4O12

SMILES

C[C@@H]1[C@H](C(C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/C([C@H]([C@H](C(C1O)C)OC(=O)C)C)OC)C)C)O)O)/C=N\N5CCN(CC5)C)C)C)O

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+/m1/s1

synonyms
  • rifampin
  • Rifampicin
  • 13292-46-1
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Properties
Property Value
MW 822.9 g/mol
HBD 6
HBA 15
Rotatable Bond Count 5
Exact Mass 822.40512330 g/mol
Monoisotopic Mass 822.40512330 g/mol
Heavy Atom Count 59
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 1620
xlogp 4.9
Topological Polar Surface Area 220