Azithromycin N-Oxide - ≥98% , CAS No.90503-06-3

CAS: 90503-06-3 Cat. No.: A337425 Molecular Weight: 764.98 PubChem CID: 59787831

GRADE & PURITY ≥98%

Synonyms

A-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethyloxidoamino)- | Q27265648 | Azithromycin 3'- N-oxide | DTXSID40238188 | (2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Azithromycin N-oxide is a degradation product of Azithromycin

Specifications

Synonyms

A-L-ribo-hexopyranosyl)oxy]-2-ethyl-3, 4, 10-trihydroxy-3, 5, 6, 8, 10, 12, 14-heptamethyl-11-[[3, 4, 6-trideoxy-3-(dimethyloxidoamino)- | Q27265648 | Azithromycin 3'- N-oxide | DTXSID40238188 | (2S, 3R, 4S, 6R)-2-[[(2R, 3S, 4R, 5R, 8R, 10R, 11R, 12S, 13S, 14R)-2-ethyl-3, 4, 10-

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504771770
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771770
• Canonical Smiles: CCC1C(C(C(N(CC(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-])O)(C)O)C)C)C)O)(C)O
• IUPAC Name: (2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide
• InChIKey: DEORMZXNPDWMST-BICOPXKESA-N
• INCHI: 1S/C38H72N2O13/c1-15-27-38(10,46)31(42)24(6)39(11)19-20(2)17-36(8,45)33(53-35-29(41)26(40(12,13)47)16-21(3)49-35)22(4)30(23(5)34(44)51-27)52-28-18-37(9,48-14)32(43)25(7)50-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
• Isomeric SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[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-])O)(C)O)C)C)C)O)(C)O
• PubChem CID: 59787831
• Molecular Weight: 764.98

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Aminosaccharides Oxanes Monosaccharides Trialkyl amine oxides Tertiary alcohols 1,2-aminoalcohols Trialkylamines Secondary alcohols Amino acids and derivatives Carboxylic acid esters Lactones Trisubstituted amine oxides and derivatives Acetals Polyols Oxacyclic compounds Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic zwitterions Organopnictogen compounds Organic salts Organic oxides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: O-glycosyl compound - Amino saccharide - Monosaccharide - Oxane - Trialkyl amine oxide - Tertiary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Acetal - N-oxide - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Trisubstituted n-oxide - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Alcohol - Organic oxide - Organic salt - Organic zwitterion - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 172-174° C
• Molecular Weight: 765.000 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 764.503 Da
• Monoisotopic Mass: 764.503 Da
• Topological Polar Surface Area: 195.000 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1200.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 18
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1