Identité

Doxycycline calcium

Non indiqué · C22H24Ca2N2O8+4

01Identité

Lazychem ID	LC-37732
CAS RN	Non indiqué
PubChem CID	73415789
Molecular formula	C22H24Ca2N2O8+4
Molecular weight	524.6 g/mol
IUPAC name	dicalcium;(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
InChIKey	CPLUWNIKPLOTRG-QFWOMMJSSA-N

02Structure et stéréochimie

Two-dimensional chemical structure of Doxycycline calcium — 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 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	4
Secondary amines	0
Tertiary amines	1

SMILES	C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.[Ca+2].[Ca+2]
InChI	Non indiqué

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 64Before 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.