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Erythromycin ethyl succinate , CAS No.1264-62-6
Basic Description
Synonyms
ERYTHROMYCIN (AS ETHYL SUCCINATE) | Erythromycin, 2'-(ethyl butanedioate) | DivK1c_000764 | Erythromycin, mono(ethyl succinate) (ester) | E.E.S. 200 | HMS2091D03 | MLS001076672 | 1014KSJ86F | E.E.S | ERYTHROMYCIN ETHYL SUCCINATE [MART.] | MLS001074901 | U
Product Description
Description
Chemical structure: macrolideErythromycin ethyl succinate is used to study erythromycin-resistantStreptococcus pyogenesandStreptococcus pneumoniae. It has been used to study down-regulation of motilin receptors on rabbit colon myocytes and lethal mutations in outer membrane genes omsA and firA inSalmonella typhimurium.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-O-[(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] 1-O-ethyl butanedioate
INCHI
InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1
InChIKey
NSYZCCDSJNWWJL-YXOIYICCSA-N
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)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O
Isomeric SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O
WGK Germany
2
RTECS
WM9800000
Molecular Weight
862.05
Reaxy-Rn
28936360
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28936360&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
ethanol: 50mg/mL
Molecular Weight
862.100 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
17
Rotatable Bond Count
14
Exact Mass
861.509 Da
Monoisotopic Mass
861.509 Da
Topological Polar Surface Area
226.000 Ų
Heavy Atom Count
60
Formal Charge
0
Complexity
1450.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
18
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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