Identità

Omacycline deamidation impurity

Non indicato · C28H39N3O6

01Identità

Lazychem ID	LC-32688
CAS RN	Non indicato
PubChem CID	175675508
Molecular formula	C28H39N3O6
Molecular weight	513.6 g/mol
IUPAC name	(1S,4aR,11aR,12aS)-1,10-bis(dimethylamino)-8-[(2,2-dimethylpropylamino)methyl]-4,4a,6,7-tetrahydroxy-11,11a,12,12a-tetrahydro-1H-tetracene-2,5-dione
InChIKey	CCSPKRMWLFWURS-KROVQBCDSA-N

02Struttura e stereochimica

Two-dimensional chemical structure of Omacycline deamidation impurity — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	4
Secondary amines	1
Tertiary amines	2

SMILES	CC(C)(C)CNCC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C=C([C@]4(C(=O)C3=C(C2=C1O)O)O)O)N(C)C)N(C)C
InChI	Non indicato

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.