Rifaximin impurity 1

cas: 1210022-90-4 — see every product listed under this CAS number, including other names

Rifaximin impurity 1 (CAS 1210022-90-4) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1210022-90-4
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Structural formula: {0} (CAS {1})

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-tetrahydroxy-22-(hydroxymethyl)-11-methoxy-3,7,12,14,16,18,30-heptamethyl-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 (CAS 1210022-90-4) is a chemical compound with the molecular formula C43H51N3O12 and a molecular weight of 801.9 g/mol. IUPAC name: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-tetrahydroxy-22-(hydroxymethyl)-11-methoxy-3,7,12,14,16,18,30-heptamethyl-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. InChIKey: QCTUFZPLJLQLQM-SRVBJRABSA-N.

Identity
Molecular formulaC43H51N3O12
Molecular weight801.9 g/mol
IUPAC name[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-tetrahydroxy-22-(hydroxymethyl)-11-methoxy-3,7,12,14,16,18,30-heptamethyl-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
InChIKeyQCTUFZPLJLQLQM-SRVBJRABSA-N
SMILESC[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)/CO

Computed by PubChem (NCBI)

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