Products 1351775-04-6

CAS 1351775-04-6 appears in our catalog under these names: Rifaximin Impurity 1, Rifaximin impurity 2. Offered by: Chemat Brand, MedChemExpress. Available pack sizes: on request, Get quote.

Rifaximin Impurity 1
Chemat Brand
  • size: on request
  • Variants: 2
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Rifaximin impurity 2
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-15,17,36-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-30-methylidene-2,6,23-trioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(36),3,5(35),9,19,21,24,26(34),28,31-decaen-13-yl] acetate (CAS 1351775-04-6) is a chemical compound with the molecular formula C86H98N6O22 and a molecular weight of 1567.7 g/mol. IUPAC name: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-15,17,36-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-30-methylidene-2,6,23-trioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(36),3,5(35),9,19,21,24,26(34),28,31-decaen-13-yl] acetate. InChIKey: UWQRLTZNDCBFRO-JMLWCENLSA-N.

Identity
Molecular formulaC86H98N6O22
Molecular weight1567.7 g/mol
IUPAC name[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21E)-15,17,36-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-30-methylidene-2,6,23-trioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(36),3,5(35),9,19,21,24,26(34),28,31-decaen-13-yl] acetate
InChIKeyUWQRLTZNDCBFRO-JMLWCENLSA-N
SMILESC[C@@H]\1[C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@]2(OC3=C(C(=O)C4=C(C(=NC(=O)/C(=C/C=C1)/C)C5=C(C4=C3C2=O)NC6=CC(=C)C=CN56)O)C)C)OC)C)OC(=O)C)C)O)C)O.C[C@@H]\1[C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@]2(OC3=C(C(=O)C4=C(C(=NC(=O)/C(=C/C=C1)/C)C5=C(C4=C3C2=O)NC6=CC(=C)C=CN56)O)C)C)OC)C)OC(=O)C)C)O)C)O

Computed by PubChem (NCBI)

Synonyms: Rifaximin Impurity 1