Products 76801-85-9

CAS 76801-85-9 appears in our catalog under these names: 9-Deoxo-9a-aza-9a-homo erythromycin A, Azathramycin, 97%, Azithromycin EP Impurity A, Azithromycin EP Impurity A (Azathramycin, Desmethyl Azithromycin), 9-Deoxo-9a-aza-9a-homo Erythromycin A (Desmethyl Azithromycin), >95% (HPLC). Offered by: Biosynth, Combi-blocks, Chemat Brand, TRC, Mikromol. Available pack sizes: 100g, 50g, 250g, 500g, 1000g, 1g, 5g, 25g.

Structural formula: {0} (CAS {1})

(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one (CAS 76801-85-9) is a chemical compound with the molecular formula C37H70N2O12 and a molecular weight of 735.0 g/mol. IUPAC name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one. InChIKey: HRKNNHYKWGYTEN-HOQMJRDDSA-N.

Identity
Molecular formulaC37H70N2O12
Molecular weight735.0 g/mol
IUPAC name(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
InChIKeyHRKNNHYKWGYTEN-HOQMJRDDSA-N
SMILESCC[C@@H]1[C@@]([C@@H]([C@H](NC[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O

Computed by PubChem (NCBI)