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Roxithromycin (Standard)

CAT: 0804-HY-B0435R-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0435R-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Roxithromycin (Standard) is the analytical standard of Roxithromycin. This product is intended for research and analytical applications. Roxithromycin (RU-28965) is a semi-synthetic macrolide antibiotic.
CAS Number
80214-83-1
Product Name Alternative
RU-28965 (Standard)
UNSPSC
12352005
Hazard Statement
H410
Target
Antibiotic; Bacterial; Reference Standards
Type
Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/roxithromycin-standard.html
Purity
98.24
Smiles
C[C@H]([C@H]([C@](O)(C[C@H](/C1=N\OCOCCOC)C)C)O[C@@](O[C@H](C)C[C@@H]2N(C)C)([H])[C@@H]2O)[C@]([C@H](C(O[C@@H]([C@@](O)([C@H](O)[C@H]1C)C)CC)=O)C)([H])O[C@@](O[C@@H](C)[C@@H]3O)([H])C[C@@]3(C)OC
Molecular Formula
C41H76N2O15
Molecular Weight
837.05
Precautions
H410
References & Citations
[1]http://en.wikipedia.org/wiki/Roxithromycin|[2]http://en.wikipedia.org/wiki/Roxithromycin
Shipping Conditions
Room Temperature
Storage Conditions
4°C, sealed storage, away from light and moisture
Scientific Category
Reference Standards

Chemical Information

Roxithromycin

Roxithromycin is semisynthetic derivative of erythromycin A. It has a role as an antibacterial drug. It is a macrolide, an erythromycin derivative and a semisynthetic derivative. It is functionally related to an erythromycin A.

CAS Number80214-83-1
PubChem CID6915744
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
Molecular FormulaC41H76N2O15
Molecular Weight837.0
XLogP3.1
Topological Polar Surface Area217
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count17
Rotatable Bond Count13
Heavy Atom Count58
Formal Charge0
Complexity1310
SMILES
CC[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
InChI
InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1
InChIKey
RXZBMPWDPOLZGW-XMRMVWPWSA-N
Chemical Structure
2D Structure
2D structure of Roxithromycin
CAS: 80214-83-1
CID: 6915744
Formula: C41H76N2O15
MW: 837.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight837.0
XLogP33.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count17
Rotatable Bond Count13
Exact Mass836.52456972
Monoisotopic Mass836.52456972
Topological Polar Surface Area217 Ų
Heavy Atom Count58
Formal Charge0
Complexity1310
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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