CAS 3521-62-8|Erythromycin Estolate

Introduction:Basic information about CAS 3521-62-8|Erythromycin Estolate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameErythromycin Estolate
CAS Number3521-62-8Molecular Weight1000.324
Density1.0053 (rough estimate)Boiling Point827.7ºC at 760 mmHg
Molecular FormulaC52H97NO18SMelting Point135-140ºC dec.
MSDSChineseUSAFlash Point454.4ºC
Symbol
GHS07, GHS08
Signal WordDanger

Names

Nameerythromycin estolate
SynonymMore Synonyms

Erythromycin Estolate BiologicalActivity

DescriptionErythromycin estolate, erythromycin derivative[1], is a macrolide antibiotic used in the treatment of a wide variety of bacterial infections. Erythromycin estolate causes several cases of liver injury which mostly include cholestatic hepatitis. Erythromycin estolate toxicity is related to its inhibitory effect on bile acid transport[2].
Related CatalogResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial
References

[1]. David E. Kleiner, et al. Learn more about Erythromycin Estolate. Biomaterials and Medical Device - Associated Infections, 2015

[2]. Lu X, et al. Integrated systems toxicology approaches identified the possible involvement of ABC transporters pathway in erythromycin estolate-induced liver injury in rat. Food Chem Toxicol. 2014 Mar;65:343-55.

Chemical & Physical Properties

Density1.0053 (rough estimate)
Boiling Point827.7ºC at 760 mmHg
Melting Point135-140ºC dec.
Molecular FormulaC52H97NO18S
Molecular Weight1000.324
Flash Point454.4ºC
Exact Mass999.616394
PSA271.96000
LogP7.55400
Index of Refraction1.6550 (estimate)
InChIKeyAWMFUEJKWXESNL-PKUOEACZSA-N
SMILESCCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O
Storage condition-20°C Freezer
Water Solubilitychloroform: soluble4.0ML, clear, colorless (200 mg + 4.0 mL Chloroform)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KF5775000
CAS REGISTRY NUMBER :
3521-62-8
LAST UPDATED :
199504
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C40-H71-N-O14.C12-H26-O4-S
MOLECULAR WEIGHT :
1056.56
WISWESSER LINE NOTATION :
T-14-VO GVTJ C2 DQ D1 EQ F1 H1 JQ J1 L1 N1 KO- BT6OTJ CQ DN1&1 F1& MO- FT6OTJ B1 CQ DO1 D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1447 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>6450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,211,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>6450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,211,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>6450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,211,1990 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
48488 mg/kg/6W-I
TOXIC EFFECTS :
Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
REFERENCE :
APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 25,435,1967 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5545 No. of Facilities: 39 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 1088 (estimated) No. of Female Employees: 542 (estimated)

Safety Information

Symbol
GHS07, GHS08
Signal WordDanger
Hazard StatementsH302-H317-H334
Precautionary StatementsP261-P280-P342 + P311
Hazard CodesXn:Harmful
Risk PhrasesR22;R42/43
Safety PhrasesS22-S36
RIDADRNONH for all modes of transport
WGK Germany3
RTECSKF5775000
HS Code29419000

Articles28

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Livex, a compound herbal formulation, was investigated for its possible hepatoprotective effect in Wistar rats against erythromycin estolate induced toxicity. Oral administration of Livex significantl...

Preparation and characterization of biodegradable poly(l-lactide)/poly(ethylene glycol) microcapsules containing erythromycin by emulsion solvent evaporation technique.

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To determine pharmacokinetics and plasma concentrations of erythromycin and related compounds after intragastric administration of erythromycin phosphate and erythromycin estolate to healthy foals.11 ...

Synonyms

Erythromycin Estolate
Erythromycin 2'-propionate dodecyl sulfate
Erythromycin 2′-propionate dodecyl sulfate
Dodecyl hydrogen sulfate - (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-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-dione (1:1)
Erythromycin 2-Propionate Dodecyl Sulfate
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