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Erythromycin A Oxime (Roxithromycin Impurity C)

CAT: 1596-AR-A14004-01Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A14004-01Size:100 Units
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CAS Number
13127-18-9
Synonyms
9-Erythromycin 9-Oxime; 9-Erythromycin A Oxime; Erythromycin Oxime; Roxithromycin Impurity C; Clarithromycin EP Impurity J
Molecular Formula
C37H68N2O13
Molecular Weight
748.94
API Name
Erythromycin

Chemical Information

Erythromycin A Oxime

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CAS Number13127-18-9
PubChem CID57347513
IUPAC Name(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Molecular FormulaC37H68N2O13
Molecular Weight748.9
XLogP3
Topological Polar Surface Area209
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count52
Formal Charge0
Complexity1210
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](C(=NO)[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)O)(C)O)C)C)O)(C)O
InChI
InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChIKey
KYTWXIARANQMCA-RWJQBGPGSA-N
Chemical Structure
2D Structure
2D structure of Erythromycin A Oxime
CAS: 13127-18-9
CID: 57347513
Formula: C37H68N2O13
MW: 748.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight748.9
XLogP33
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass748.47214023
Monoisotopic Mass748.47214023
Topological Polar Surface Area209 Ų
Heavy Atom Count52
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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257296-01Erythromycin A oxime (roxithromycin impurity C)
RM-R242001-01Roxithromycin EP Impurity A; Erythromycin; Erythromycin A (USP)
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RM-E182046-01Erythromycin A 9-Oxime (Mixture of Z and E Isomers) ; Erythromycin A oxime (Azithromycin USP impurity)
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