6-Epidoxycycline

01Identita

Lazychem ID	LC-40270
CAS RN	Neuvedeno
PubChem CID	54685534
Molecular formula	C22H24N2O8
Molecular weight	444.4 g/mol
IUPAC name	(4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
InChIKey	SGKRLCUYIXIAHR-IPJAVASBSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of 6-Epidoxycycline — 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
InChI	Neuvedeno

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

5 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.

CAS not listed

SGKRLCUYIXIAHR-IPJAVASBSA-N

Current configuration

Two-dimensional chemical structure of 4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

4-(Dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

CAS not listed

SGKRLCUYIXIAHR-UHFFFAOYSA-N

0 defined, 6 unassigned centres

4-epi-6-Epidoxycycline

CAS not listed

SGKRLCUYIXIAHR-HEMWUFRKSA-N

6 defined, 0 unassigned centres

Doxycycline

CAS 564-25-0

SGKRLCUYIXIAHR-AKNGSSGZSA-N

6 defined, 0 unassigned centres

Doxycycline EP Impurity C

CAS 6543-77-7

SGKRLCUYIXIAHR-NLJUDYQYSA-N

6 defined, 0 unassigned centres

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

6-Epidoxycycline

01Identita

02Struktura a stereochemie

03Stereochemistry

Published same-connectivity configurations