Erythromycin B

HCID 9918244
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Grundinformationen

CAS
527-75-3
Standard-SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C
InChIKey
IDRYSCOQVVUBIJ-PPGFLMPOSA-N
Summenformel
C37H67NO12
Durchschnittliche Molmasse
717,9 g/mol
Monoisotopische Masse
717,46632657

Namen und Bezeichner

Bevorzugter Name
Erythromycin B
IUPAC
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Englischer Name
ERYTHROMYCIN B
Summenformel
C37H67NO12
Molmasse
717.93

Namen und Synonyme

Erythromycin B527-75-3BerythromycinBeritromicinaBerythromycine12-DeoxyerythromycinBerythromycinumAbbott-24091AN686JJ1YICHEBI:28196DTXSID501023765(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Weitere Namen anzeigen
abbot24091Erythromycin B RSErythromycin B CRS12-deoxy-erythromyciErythromycin B - APIIsoniazid Impurity 15Erythromycin B (100 mg)
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy-14-ethyl-7,12-dihydroxy-4-((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione12-deoxyerythromycin ARefChem:567063DTXCID601508085ERYTHROMYCIN B (150 MG)Erythromycin B (~90%)(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-7,12-dihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dioneAbbot 24091

Datenbank-Bezeichner

CAS
527-75-3
PubChem CID
9918244
DTXSID
DTXSID501023765
ChEMBL
CHEMBL3220708
ChEBI
CHEBI:28196
UNII
AN686JJ1YI
EC Number
809-313-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,9
Polarare Oberfläche (TPSA)
174 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
13
Frei drehbare Bindungen
7
Schwere Atome
50

Physikochemische Eigenschaften

Schmelzpunkt
191 · 191-195 °C
Siedepunkt
807.6 · 807.6±65.0 °C(Predicted)
Dichte
1.17 · 1.17±0.1 g/cm3(Predicted)
Löslichkeit
Chloroform (Slightly), Ethanol (Slightly), Ethyl Acetate (Slightly, Heated)
pka
13.49 · 13.49±0.70(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Sicherheitsdaten

hs_code
2941500000
risk_code
36
hazard_code
Xi
safety_code
26

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Anwendungen · 1 Eintrag

VerwendenErythromycin B (12-deoxyerythromycin A) is a minor co-metabolite of erythromycin produced Saccharopolyspora erythreae. Erythromycin B exhibits broad spectrum antibiotic activity, albeit less potent than erythromycin A. Erythromycin B played an integral part of the SAR studies of semi-synthetic erythromycins, however none reached clinical development.

Anbieter47 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
苏州聚臻医药科技有限公司15365159808 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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