Clarithromycin EP Impurity E

01Azonosítás

Lazychem ID	LC-10978
CAS RN	81103-14-2
PubChem CID	14589666
Molecular formula	C39H71NO13
Molecular weight	761.98 g/mol
IUPAC name	6,11-Di-O-methylerythromycin A
InChIKey	DWRKNXHSSDFLOJ-UHFFFAOYSA-N

02Szerkezet és sztereokémia

Two-dimensional chemical structure of Clarithromycin EP Impurity E, CAS 81103-14-2 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	3
Secondary amines	0
Tertiary amines	1

SMILES	CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)OC)(C)O
InChI	Nincs megadva

03Stereochemistry

The published structure contains 0 defined and 18 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres18Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 262,144Before 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.

CAS 81103-14-2

DWRKNXHSSDFLOJ-UHFFFAOYSA-N

Current configuration

Two-dimensional chemical structure of (3R,4R,5R,6S,7R,9S,11R,12R,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7,12-dimethoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

(3R,4R,5R,6S,7R,9S,11R,12R,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7,12-dimethoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

CAS not listed

DWRKNXHSSDFLOJ-MQXKPBBZSA-N

17 defined, 1 unassigned centres

6,11-Di-O-Methyl ErythroMycin

CAS not listed

DWRKNXHSSDFLOJ-XNLUWZQGSA-N

18 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.

04Indiai státusz

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

05Nevek és kapcsolatok

API és anyavegyület

Clarithromycin

Szennyezők és rokon vegyületek

Nevek és kapcsolatok

6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7,12-dimethoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Clarithromycin Related Compound A

06Források

S01
PubChem CID 14589666
Structure and machine-readable chemical identifiers.