Rifabutin[利福布汀]

Rifabutin[利福布汀]

CAS:72559-06-9

SKU： NCC.72559.06.9 分类：
保证安全结账

CAS Registry Number®

72559-06-9

CAS Name

Rifabutin

Molecular Formula

C46H62N4O11

Molecular Mass

847.00

Other Names and Identifiers

InChI

InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12-,20-15-,24-14+/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1

InChIKey

InChIKey=ATEBXHFBFRCZMA-GKOUUOJRSA-N

SMILES

O=C1C=2C=3C=4C(=C5C(=O)C3C(O)=C(C)C2O[C@]1(C)O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)\C(=O)N5)NC6(N4)CCN(CC(C)C)CC6

Canonical SMILES

O=C(OC1C(C)C(OC)C=COC2(OC=3C(C2=O)=C4C5=NC6(NC5=C(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C1C)C)C(=O)C4=C(O)C3C)CCN(CC6)CC(C)C)C)C

Other Names for this Substance

  • 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)-
  • Rifamycin XIV, 1′,4-didehydro-1-deoxy-1,4-dihydro-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], rifamycin XIV deriv.
  • (9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-16-(Acetyloxy)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1′-(2-methylpropyl)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
  • Antibiotic LM 427
  • LM 427
  • Rifabutin
  • Rifabutine
  • Mycobutin
  • Ansamycin
  • R 3530
  • MeSH ID: D017828

Deleted or Replaced CAS Registry Numbers

51374-14-2, 76609-88-6, 794517-89-8

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