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Roxithromycin EP impurity G

CAT: 1596-AR-R10036-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R10036-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
425365-64-6
Synonyms
Erythromycin 9- (E) -[O-[[ (2-Methoxyethoxy) methoxy]methyl]oxime]; (9E) -Erythromycin 9-[O-[[ (2-Methoxyethoxy) methoxy]methyl]oxime]
Molecular Formula
C42H78N2O16
Molecular Weight
867.07
API Name
Roxithromycin

Chemical Information

Roxithromycin EP impurity G
CAS Number425365-64-6
PubChem CID78069837
IUPAC Name6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-10-(2-methoxyethoxymethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Molecular FormulaC42H78N2O16
Molecular Weight867.1
XLogP3
Topological Polar Surface Area226
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count15
Heavy Atom Count60
Formal Charge0
Complexity1350
SMILES
CCC1C(C(C(C(=NOCOCOCCOC)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)O)(C)O)C)C)O)(C)O
InChI
InChI=1S/C42H78N2O16/c1-15-30-42(10,50)35(46)25(4)32(43-55-22-54-21-53-17-16-51-13)23(2)19-40(8,49)37(60-39-33(45)29(44(11)12)18-24(3)56-39)26(5)34(27(6)38(48)58-30)59-31-20-41(9,52-14)36(47)28(7)57-31/h23-31,33-37,39,45-47,49-50H,15-22H2,1-14H3
InChIKey
HPSZFRAOTAULNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Roxithromycin EP impurity G
CAS: 425365-64-6
CID: 78069837
Formula: C42H78N2O16
MW: 867.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight867.1
XLogP33
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count15
Exact Mass866.53513440
Monoisotopic Mass866.53513440
Topological Polar Surface Area226 Ų
Heavy Atom Count60
Formal Charge0
Complexity1350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count18
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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RM-R242019-01Roxithromycin Impurity 19
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