Rifalazil

CAS Registry Number®

129791-92-0
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CAS Name

Rifalazil

Molecular Formula

C51H64N4O13

Molecular Mass

941.07

Cite this Page

Rifalazil.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=129791-92-0 (retrieved 2024-04-16) (CAS RN: 129791-92-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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/h12-15,20-22,24-25,27-29,34,42-43,46,57-60H,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

InChIKey

InChIKey=UEFHFKKWYKVLDC-CUWRHPIFSA-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)OC=6C(N4)=C(O)C=C(C6)N7CCN(CC(C)C)CC7

Canonical SMILES

O=C(OC1C(C)C(OC)C=COC2(OC3=C(C2=O)C=4C5=NC=6C(O)=CC(=CC6OC5=C(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C1C)C)C(=O)C4C(O)=C3C)N7CCN(CC7)CC(C)C)C)C

Other Names for this Substance

  • Rifamycin VIII, 1′,4-didehydro-1-deoxy-1,4-dihydro-3′-hydroxy-5′-[4-(2-methylpropyl)-1-piperazinyl]-1-oxo-
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)-6H-benzofuro[4,5-a]phenoxazine, rifamycin VIII deriv.
  • 1′,4-Didehydro-1-deoxy-1,4-dihydro-3′-hydroxy-5′-[4-(2-methylpropyl)-1-piperazinyl]-1-oxorifamycin VIII
  • KRM 1648
  • Rifalazil

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Deleted or Replaced CAS Registry Numbers

188910-97-6

CAS INSIGHTSTM
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