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Erythromycin Ethyl Succinate

CAT: 1489-E7710-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
1264-62-6

Chemical Information

Erythromycin ethyl succinate

Erythromycin ethylsuccinate is a erythromycin derivative that is erythromycin A in which the hydroxy group at position 3R is substituted by a (4-ethoxy-4-oxobutanoyl)oxy group. It is used for the treatment of a wide variety of bacterial infections. It is an ethyl ester, a succinate ester, a cyclic ketone and an erythromycin derivative. It is functionally related to an erythromycin A.

CAS Number1264-62-6
PubChem CID443953
IUPAC Name4-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
Molecular FormulaC43H75NO16
Molecular Weight862.1
XLogP3.4
Topological Polar Surface Area226
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count14
Heavy Atom Count60
Formal Charge0
Complexity1450
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
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
Chemical Structure
2D Structure
2D structure of Erythromycin ethyl succinate
CAS: 1264-62-6
CID: 443953
Formula: C43H75NO16
MW: 862.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight862.1
XLogP33.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count14
Exact Mass861.50858530
Monoisotopic Mass861.50858530
Topological Polar Surface Area226 Ų
Heavy Atom Count60
Formal Charge0
Complexity1450
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
448429-01Erythromycin Ethyl Succinate
448430-01Erythromycin Ethyl Succinate-D6
TRC-E649986-10MGErythromycin Ethyl Succinate-13C,d3
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