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Erythromycin estolate

CAS No.:
3521-62-8
Catalog Number:
AG019FVO
Molecular Formula:
C52H97NO18S
Molecular Weight:
1056.3875
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
In Stock USA
United States
$58
- +
5g
In Stock USA
United States
$138
- +
25g
In Stock USA
United States
$494
- +
Product Description
Catalog Number:
AG019FVO
Chemical Name:
Erythromycin estolate
CAS Number:
3521-62-8
Molecular Formula:
C52H97NO18S
Molecular Weight:
1056.3875
MDL Number:
MFCD00084691
IUPAC Name:
[(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
InChI:
InChI=1S/C40H71NO14.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;2-12H2,1H3,(H,13,14,15)/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-;/m1./s1
InChI Key:
AWMFUEJKWXESNL-JZBHMOKNSA-N
SMILES:
CCC(=O)O[C@H]1[C@@H](O[C@@H](C[C@@H]1N(C)C)C)O[C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@@H](C)C(=O)O[C@H](CC)[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]1(C)O)C)C)O)(C)O.CCCCCCCCCCCCOS(=O)(=O)O
EC Number:
222-532-4
UNII:
XRJ2P631HP
NSC Number:
757880
Properties
Complexity:
1550  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
18  
Defined Bond Stereocenter Count:
0
Exact Mass:
1055.643g/mol
Formal Charge:
0
Heavy Atom Count:
72  
Hydrogen Bond Acceptor Count:
19  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
1056.397g/mol
Monoisotopic Mass:
1055.643g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
272A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Integrated systems toxicology approaches identified the possible involvement of ABC transporters pathway in erythromycin estolate-induced liver injury in rat. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20140301
Antibiotics for ureaplasma in the vagina in pregnancy. The Cochrane database of systematic reviews 20110907
A predictive ligand-based Bayesian model for human drug-induced liver injury. Drug metabolism and disposition: the biological fate of chemicals 20101201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Pharmacokinetics of erythromycin after the administration of intravenous and various oral dosage forms to dogs. Journal of veterinary pharmacology and therapeutics 20081201
Antibiotics for whooping cough (pertussis). The Cochrane database of systematic reviews 20070718
Antibiotics for whooping cough (pertussis). The Cochrane database of systematic reviews 20050125
Effect of tetrahydrocurcumin on erythromycin estolate-induced lipid peroxidation in rats. Journal of basic and clinical physiology and pharmacology 20050101
Azithromycin is as effective as and better tolerated than erythromycin estolate for the treatment of pertussis. Pediatrics 20040701
Protective role of tetrahydrocurcumin against erythromycin estolate-induced hepatotoxicity. Pharmacological research 20040501
Protective effect of Sesbania grandiflora against erythromycin estolate-induced hepatotoxicity. Therapie 20030101
Effect of chlorpromazine and erythromycin on bile salt-induced cholestasis in the rat. Pharmacology 19790101
Properties