Rifabutin

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Properties Simple | Detailed

Formula C46H62N4O11
IUPAC Name rifabutin
Molecular Mass 847.005 g·mol−1
Heat of Formation -1792.3 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 1005.61 Å 3
Surface Area 645.47 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • (9s,12e,14s,15r,16s,17r,18r,19r,20s,21s,22e,24z)-6,18,20-trihydroxy-1'-isobutyl-14-methoxy-7,9,15,17,19,21,25-heptamethyl-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin
  • (9s,12e,14s,15r,16s,17r,18r,19r,20s,21s,22e,24z)-6-16,18,20- tetrahydroxy-1'-isobutyl-14-methoxy-7,9,15,17,19,21,25- heptamethylspiro(9,4-(epoxypentadeca(1,11,13)trienimino)-2h- furo(2',3':7,8)naphth(1,2-d)imidazole-2,4'-piperidine)- 5,10,26(3h,9h)-trione,16-acetate
  • (9s,12e,14s,15r,16s,17r,18r,19r,20s,21s,22e,24z)-6-16,18,20-tetrahydroxy-1'-isobutyl-14-methoxy-7,9,15,17,19,21,25-heptamethylspiro(9,4-(epoxypentadeca(1,11,13)trienimino)-2h-furo(2',3':7,8)naphth(1,2-d)imidazole-2,4'-piperidine)-5,10,26(3h,9h)-trione,16-acetate
  • 1,4-dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycin xiv
  • 4-deoxo-3,4-(2-spiro(n-isobutyl-4-piperidyl)-2,5-dihydro-1h-imidazo)-rifamycin s
  • 4-n-isobutylspiropiperidylrifamycin s
  • alfacid
  • ansatipin
  • antibiotic lm 427
  • d00424
  • drg-0085
  • lm-427
  • rifabutine
  • rifabutinum [latin]
  • rifamycin xiv, 1,4-dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxo-
  • spiro[9,4-(epoxypentadeca[1,11,13]trienimino)-2h-furo[2',3':7,8]naphth[1,2-d]imidazole-2,4'-piperidine]-5,10,26(3h,9h)-trione, 16-(acetyloxy)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-, (9s,12e,14s,15r,16s,17r,18r,19r,20s,21s,22e,24z)-
CAS Number(s)
  • 76609-88-6
  • 72559-06-9
  • 51374-14-2
InChIKey ATEBXHFBFRCZMA-VXTBVIBXSA-N
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