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Rifaximin

Rifaximin

API0232400

Rifaximin

Rifapentine is an antibiotic.

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API Description
API Details
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Related Patent Status
  • CAS No.

    80621-81-4

  • Synonyms

    Rifaximin; Rifaxidin; 80621-81-4

  • CHEMBL ID

    CHEMBL1617

  • Molecule Type

    Small molecule

  • Compound CID

    6436173

  • Molecular Weight (g/mol)

    785.9

  • Molecular Formula

    C43H51N3O11

  • InChI

    InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1

  • InChIKey

    NZCRJKRKKOLAOJ-XRCRFVBUSA-N

  • SMILES

    C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)/C

  • IUPAC Name

    [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl] acetate

  • Exact Mass (Da)

    785.35235945

  • Monoisotopic Mass (Da)

    785.35235945

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