Products 885112-31-2

CAS 885112-31-2 is the registry number for 4-Desdimethylamine 4-Oxo Omadacycline. Offered by: TRC. Available pack sizes: 5mg.

4-Desdimethylamine 4-Oxo Omadacycline
TRC
  • size: 5mg
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

(4aR,5aR,12aS)-7-(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-3,10,11,12a-tetrahydroxy-1,4,12-trioxo-4a,5,5a,6-tetrahydrotetracene-2-carboxamide (CAS 885112-31-2) is a chemical compound with the molecular formula C27H33N3O8 and a molecular weight of 527.6 g/mol. IUPAC name: (4aR,5aR,12aS)-7-(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-3,10,11,12a-tetrahydroxy-1,4,12-trioxo-4a,5,5a,6-tetrahydrotetracene-2-carboxamide. InChIKey: AZYDYYWUVQAUKM-ROXLPQNTSA-N.

Identity
Molecular formulaC27H33N3O8
Molecular weight527.6 g/mol
IUPAC name(4aR,5aR,12aS)-7-(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-3,10,11,12a-tetrahydroxy-1,4,12-trioxo-4a,5,5a,6-tetrahydrotetracene-2-carboxamide
InChIKeyAZYDYYWUVQAUKM-ROXLPQNTSA-N
SMILESCC(C)(C)CNCC1=CC(=C2C[C@H]3C[C@H]4C(=O)C(=C(C(=O)[C@]4(C(=O)C3=C(C2=C1O)O)O)C(=O)N)O)N(C)C

Computed by PubChem (NCBI)

Synonyms: 4-Desdimethylamine 4-Oxo Omadacycline, Omadacycline Impurity 3, Omacycline 4-one impurity
Isomers (same molecular formula)
(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-nitrosoamino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid C27H33N3O8
(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-N-(pyrrolidin-1-ylmethyl)-4,4a,5,5a-tetrahydrotetracene-2-carboxamide C27H33N3O8