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Macrolides

Roxithromycin

罗红霉素

PHY-NP-04855 · Natural product research catalog

Catalog numberPHY-NP-04855
CAS number80214-83-1
Molecular formulaC41H76N2O15
Molecular weight837.058 g/mol
Chemical classMacrolides
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Roxithromycin

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10 mgRequest quoteTo be confirmedConfirm in quotation
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50 mgRequest quoteTo be confirmedConfirm in quotation
100 mgRequest quoteTo be confirmedConfirm in quotation

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Product information

Roxithromycin is listed in the Macrolides section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
SMILESCC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[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
InChIKeyRXZBMPWDPOLZGW-XMRMVWPWSA-N
Subclass / scaffoldErythromycins
PubChem CID6915744

Computed properties

Exact mass (Da)836.5246Predicted LogP2.2096
Predicted TPSA (Ų)216.89H-bond donors5
H-bond acceptors17Rotatable bonds13

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count3
Aromatic rings0
Fraction Csp³0.951
Synthetic accessibility score6.41
QED score0.078
Lipinski rule violations2
NPClassifier pathwayPolyketides
NPClassifier superclassMacrolides
NPClassifier classErythromycins
Parent SMILESCC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
Parent formulaC41H76N2O15
Parent molecular weight837.058
Specified stereocenters18
Unspecified stereocenters0

Reported natural occurrence

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT organism records0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.