1′,4-Didehydro-1-deoxy-1,4-dihydro-31-hydroxy-5′-(2-methylpropyl)-1-oxorifamycin XIV

CAS Registry Number®

100324-64-9
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CAS Name

1′,4-Didehydro-1-deoxy-1,4-dihydro-31-hydroxy-5′-(2-methylpropyl)-1-oxorifamycin XIV

Molecular Formula

C46H62N4O12

Molecular Mass

863.00

Cite this Page

1′,4-Didehydro-1-deoxy-1,4-dihydro-31-hydroxy-5′-(2-methylpropyl)-1-oxorifamycin XIV.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=100324-64-9 (retrieved 2024-05-15) (CAS RN: 100324-64-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H62N4O12/c1-22(2)20-50-17-15-46(16-18-50)48-34-31-32-39(55)27(7)42-33(31)43(57)45(9,62-42)60-19-14-30(59-10)24(4)41(61-28(8)52)26(6)37(53)25(5)38(54)29(21-51)13-11-12-23(3)44(58)47-36(40(32)56)35(34)49-46/h11-14,19,22,24-26,29-30,37-38,41,49,51,53-55H,15-18,20-21H2,1-10H3,(H,47,58)/b13-11-,19-14-,23-12+/t24-,25+,26-,29-,30+,37-,38-,41-,45+/m1/s1

InChIKey

InChIKey=PANFHCPHSZTZMK-IJLUNJAISA-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](CO)/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(CO)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

  • Rifamycin XIV, 1′,4-didehydro-1-deoxy-1,4-dihydro-31-hydroxy-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.
  • 1′,4-Didehydro-1-deoxy-1,4-dihydro-31-hydroxy-5′-(2-methylpropyl)-1-oxorifamycin XIV
  • 31-Hydroxyrifabutin

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