Tacrolimus Impurity 1

cas: 123719-19-7 — see every product listed under this CAS number, including other names

Tacrolimus Impurity 1 (CAS 123719-19-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULT398
cas123719-19-7
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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Structural formula: {0} (CAS {1})

(1R,8S,11S,12R,13S,16R,17E,20S,22S,23R,24R,26R)-1,13-dihydroxy-11-[(E)-1-[(1R,3S,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-22,24-dimethoxy-12,18,20,26-tetramethyl-16-prop-2-enyl-10,27-dioxa-3-azatricyclo[21.3.1.03,8]heptacos-17-ene-2,9,15-trione (CAS 123719-19-7) is a chemical compound with the molecular formula C43H69NO11 and a molecular weight of 776.0 g/mol. IUPAC name: (1R,8S,11S,12R,13S,16R,17E,20S,22S,23R,24R,26R)-1,13-dihydroxy-11-[(E)-1-[(1R,3S,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-22,24-dimethoxy-12,18,20,26-tetramethyl-16-prop-2-enyl-10,27-dioxa-3-azatricyclo[21.3.1.03,8]heptacos-17-ene-2,9,15-trione. InChIKey: RJOVJTTUBQJLEI-SZUBLZBRSA-N.

Identity
Molecular formulaC43H69NO11
Molecular weight776.0 g/mol
IUPAC name(1R,8S,11S,12R,13S,16R,17E,20S,22S,23R,24R,26R)-1,13-dihydroxy-11-[(E)-1-[(1R,3S,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-22,24-dimethoxy-12,18,20,26-tetramethyl-16-prop-2-enyl-10,27-dioxa-3-azatricyclo[21.3.1.03,8]heptacos-17-ene-2,9,15-trione
InChIKeyRJOVJTTUBQJLEI-SZUBLZBRSA-N
SMILESC[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)C)OC)OC

Computed by PubChem (NCBI)

Synonyms: 9-Norketo FK-506, Tacrolimus Impurity 6
Isomers (same molecular formula)
[(1E,3S,4R,5S,8R,9E,12S,14S)-5-hydroxy-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-14-methoxy-14-[(2R,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2,4,10,12-tetramethyl-7-oxo-8-prop-2-enyltetradeca-1,9-dien-3-yl] (2S)-1-formylpiperidine-2-carboxylate C43H69NO11
[(1E,3S,4R,5S,8R,9E,12S,14S)-5-hydroxy-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-14-methoxy-14-[(2R,3S,5S)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2,4,10,12-tetramethyl-7-oxo-8-prop-2-enyltetradeca-1,9-dien-3-yl] (2S)-1-formylpiperidine-2-carboxylate C43H69NO11

Also listed as

9-Norketo FK-506, >95% (HPLC) TRC CAS 123719-19-7
9-Norketo FK-506 Biosynth CAS 123719-19-7