Erythromycin Estolate

HCID 441371CAS 3521-62-8
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Grundinformationen

Standard-SMILES
CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O
InChIKey
AWMFUEJKWXESNL-JZBHMOKNSA-N
Summenformel
C52H97NO18S
Durchschnittliche Molmasse
1.056,4 g/mol
Monoisotopische Masse
1.055,64263626

Überblick

Erythromycin estolate is an aminoglycoside sulfate salt and an erythromycin derivative. It has a role as an enzyme inhibitor. It contains an erythromycin A 2'-propanoate.

Namen und Bezeichner

Bevorzugter Name
Erythromycin Estolate
IUPAC
[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] propanoate;dodecyl hydrogen sulfate

Namen und Synonyme

ERYTHROMYCIN ESTOLATEIlosone3521-62-8EstomicinaRoxomicinaStellamicinaEriscelEritrogerNeo-erycinumErythromycin estorateerythromycin propionate lauryl sulfatePELS
Weitere Namen anzeigen
DTXSID1037224Propionylerythromycin lauryl sulfateErythromycin (as estolate)XRJ2P631HPErythromycin, 2'-propanoate, dodecyl sulfate (salt)Lauryl sulfate propionyl erythromycin esterNSC-263364Erythromycin propionate, compound with dodecyl sulfate

Datenbank-Bezeichner

CAS
3521-62-8
PubChem CID
441371
DTXSID
DTXSID1037224
ChEMBL
CHEMBL2218877
ChEBI
CHEBI:4846
UNII
XRJ2P631HP
EC Number
222-532-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
272 Ų
H-Brücken-Donoren
5
H-Brücken-Akzeptoren
19
Frei drehbare Bindungen
22
Schwere Atome
72

Experimentelle und physikochemische Eigenschaften

LipidsPolyketides [PK] -> Macrolides and lactone polyketides [PK04]
Human Drugs · 2 Einträge

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Collision Cross Section264.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 118 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationErythromycin, 2'-propanoate, dodecyl sulfate (salt): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Erythromycin, 2'-propanoate, dodecyl sulfate (salt): Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Toxikologische Informationen

Drug Induced Liver Injury · 6 Einträge

Drug Induced Liver Injury Rank (DILIrank 2.0)

Erythromycin estolate

vMost-DILI-concern

5

Warnings & precautions

DOI:10.1016/j.drudis.2016.02.015

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 4 Einträge

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion.

Compounds which inhibit the synthesis of proteins. They are usually ANTI-BACTERIAL AGENTS or toxins. Mechanism of the action of inhibition includes the interruption of peptide-chain elongation, the blocking the A site of ribosomes, the misreading of the genetic code or the prevention of the attachment of oligosaccharide side chains to glycoproteins.

Substances that inhibit the growth or reproduction of BACTERIA.

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