Cas no 129791-92-0 (Rifalazil)

Rifalazil structure
Rifalazil structure
Product Name:Rifalazil
CAS No:129791-92-0
MF:C51H64N4O13
MW:941.072875022888
CID:64017
PubChem ID:135431094
Update Time:2025-04-18

Rifalazil Chemical and Physical Properties

Names and Identifiers

    • Rifalazil
    • 3'-Hydroxy-5'-(4-isobutylpiperazinyl)benzoxazinorifamycin
    • 5,12-Dihydroxy-2,4-dimethyl-10-[4-(2-methyl-propyl)-l-piperazinyl]-2,7-[oxy(5-acetoxy-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxo-l,ll,13-pentadecatriene-l,15-diyl)imino]-6H-benzofuro[4,5-a]phenoxazine-l(2H),6-dione
    • KRM 1648
    • 5,12-Dihydroxy-2,4-dimethyl-10-[4-(2-methyl-propyl)-l-piperazinyl]-2,7-[oxy(5-acetoxy-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxo-
    • 1-Deoxy-1'-dehydro-1-oxo-3'-hydroxy-5'-[4-(2-methylpropyl)piperazino]rifamycin VIII
    • Rifamycin VIII, 1',4-didehydro-1-deoxy-1,4-dihydro-3'-hydroxy-5'-[4-(2-methylpropyl)-1-piperazinyl]-1-oxo-
    • (2S,20S,21S,22R,23R,24R,25S,26R,27S)-5,12,21,23-Tetrahydroxy-10-(4-isobutylpiperazin-1-yl)-27-methoxy-2,4,16,20,22,24,26-heptamethyl-1,6,15-trioxo-1,2-dihydro-6H-2,7-(epoxypentadeca[1,11,13]trienoimino)[1]benzofuro[4,5-a]phenoxazin-25-yl acetate
    • (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,12,21,23,25-Pentahydroxy-10-(4-isobutyl-1-piperazinyl)-27-methoxy-2,4,16,20,22,24,26-heptamethyl-2,7-(epoxypentadeca(1,11,13)trienimino)-6H-benzofuro(4,5-a)phenoxazine-1(2H),6,15-trione 25-acetate
    • KRM-1648
    • SCHEMBL76007
    • 129791-92-0
    • KRM-1648 and Yokuinin
    • 3'-hydroxy-5'-(4-isobutyl-1-piperazinyl)benzoxazinorifamycin
    • BDBM50491559
    • Benzoxazinorifamycin
    • [tetrahydroxy-(4-isobutylpiperazin-1-yl)-methoxy-heptamethyl-trioxo-[?]yl] acetate
    • Rifalazil (USAN/INN)
    • KRM-1648 & MBST
    • RIFALAZIL [USAN]
    • RIFALAZIL [MI]
    • HY-105099
    • ABI1648
    • DB04934
    • UNII-S1976TE8QK
    • Rifamycin viii, 1',4-didehydro-1-deoxy-1,4-dihydro-3'-hydroxy-5'-(4-(2-methylpropyl)-1-piperazinyl)-1-oxo-
    • PA-1648
    • ABI 1648
    • S1976TE8QK
    • CHEMBL236297
    • ABI-1648
    • RLZ
    • KRM-1648 & Mao-Bushi-Saishin-To
    • CHEBI:188526
    • CS-0024983
    • [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-30-[4-(2-methylpropyl)piperazin-1-yl]-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
    • Q7333206
    • Rifalazil [USAN:INN]
    • D02550
    • RIFALAZIL [INN]
    • 1',4-DIDEHYDRO-1-DEOXY-1,4-DIHYDRO-3'-HYDROXY-5'-(4-(2-METHYLPROPYL)-1-PIPERAZINYL)-1-OXORIFAMYCIN VIII
    • 2,7-(Epoxy[1,11,13]pentadecatrienoimino)-6H-benzofuro[4,5-a]phenoxazine-1,6,15(2H)-trione, 25-(acetyloxy)-5,12,21,23-tetrahydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-10-[4-(2-methylpropyl)-1-piperazinyl]-, (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-
    • (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,32-Tetrahydroxy-30-(4-isobutyl-1-piperazinyl)-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11;.1.14,7.05,36.026,35.028,33]octatriaconta-1(36),2,4,9,19,21,25,28,30,32,34-undecaen-13-yl acetate
    • KRM-1648 & Scretory leukocyte protease inhibitor
    • G12816
    • Inchi: 1S/C51H64N4O13/c1-24(2)23-54-16-18-55(19-17-54)32-21-33(57)39-35(22-32)67-48-40(52-39)36-37-44(60)30(8)47-38(36)49(62)51(10,68-47)65-20-15-34(64-11)27(5)46(66-31(9)56)29(7)43(59)28(6)42(58)25(3)13-12-14-26(4)50(63)53-41(48)45(37)61/h12-15,20-22,24-25,27-29,34,42-43,46,58-60,62H,16-19,23H2,1-11H3,(H,53,63)/b13-12+,20-15+,26-14-/t25-,27+,28+,29+,34-,42-,43+,46+,51-/m0/s1
    • InChI Key: IXSVOCGZBUJEPI-HTQYORAHSA-N
    • SMILES: O(C(C)=O)[C@@H]1[C@H](C)[C@H](C=CO[C@]2(C)C(=C3C(=C(C)C(=C4C(C(=C5C(=C34)N=C3C(C=C(C=C3O5)N3CCN(CC(C)C)CC3)=O)NC(C(C)=CC=C[C@H](C)[C@@H]([C@@H](C)[C@H]([C@H]1C)O)O)=O)=O)O)O2)O)OC |c:52,t:8,54|

Computed Properties

  • Exact Mass: 940.44700
  • Monoisotopic Mass: 940.446988
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 68
  • Rotatable Bond Count: 6
  • Complexity: 2060
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 3
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 226
  • XLogP3: 3.3

Experimental Properties

  • Density: 1.36
  • Melting Point: 195-200° (dec)
  • Boiling Point: 1048.6°Cat760mmHg
  • Flash Point: 588°C
  • Refractive Index: 1.634
  • PSA: 230.66000
  • LogP: 6.57360

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