Products 1351775-03-5

CAS 1351775-03-5 is the registry number for Rifaximin Impurity 2. Offered by: Chemat Brand. Available pack sizes: on request.

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

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-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 1351775-03-5) is a chemical compound with the molecular formula C43H49N3O11 and a molecular weight of 783.9 g/mol. IUPAC name: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-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: AKJHOMQWQPCXMR-GEOWOUTJSA-N.

Identity
Molecular formulaC43H49N3O11
Molecular weight783.9 g/mol
IUPAC name[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-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
InChIKeyAKJHOMQWQPCXMR-GEOWOUTJSA-N
SMILESC[C@H]1/C=C/C=C(\C(=O)N=C2C3=C(C4=C5C(=C(C(=O)C4=C2O)C)O[C@@](C5=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)NC6=CC(=C)C=CN63)/C

Computed by PubChem (NCBI)

Synonyms: Rifaximin Impurity 2, Rifaximin Impurity 1
Isomers (same molecular formula)
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23,36-trioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,24,26(34),28,30,32-undecaen-13-yl] acetate C43H49N3O11