Identita

Doxorubicin Impurity 3

Neuvedeno · C26H27NO11

01Identita

Lazychem ID	LC-41841
CAS RN	Neuvedeno
PubChem CID	24196752
Molecular formula	C26H27NO11
Molecular weight	529.5 g/mol
IUPAC name	(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid
InChIKey	UOZJSBYGENSCDJ-ZXLBUDMUSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Doxorubicin Impurity 3 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)O)O)N)O
InChI	Neuvedeno

03Stereochemistry

The published structure contains 2 defined and 4 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres4Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

3 records

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.