Azithromycin Dihydrate - 10mM in DMSO , CAS No.117772-70-0

CAS: 117772-70-0 Cat. No.: A420787 Formula: C₃₈H₇₂N₂O₁₂·2H₂O Molecular Weight: 785.02 EC Number: 641-134-5

GRADE & PURITY 10mM in DMSO

Synonyms

AZITHROMYCIN DIHYDRATE|117772-70-0|Ribotrex|Zenstavion|Azadose|Azatek|Azitro|Ultreon|Vinzam|Odaz|Toraseptol|Azithromycin (hydrate)|Aciphar|Acitrocin|Azidromic|Azitral|Azitrix|Azitrom|Azitrox|Azitroxil|Azimix|Azitrona Klonal|UNII-5FD1131I7S|5FD1131I7S|Azit

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

An azalide antimicrobial agent active in vitro against various pathogens.

Specifications

Synonyms

AZITHROMYCIN DIHYDRATE | 117772-70-0 | Ribotrex | Zenstavion | Azadose | Azatek | Azitro | Ultreon | Vinzam | Odaz | Toraseptol | Azithromycin (hydrate) | Aciphar | Acitrocin | Azidromic | Azitral | Azitrix | Azitrom | Azitrox | Azitroxil | Azimix | Azitrona Klonal | UNII-5FD1131I7S | 5FD1131I7S | Azit

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Macrolide antibiotic. Bacterial 50S ribosomal inhibitor. Inhibits translation, cell viability and growth rate of bacterial cells (IC 50 = 0.4 μg/ml). Orally active against gram-negative and gram-positive bacteria.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

Pubchem Sid

528776289

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)(C)O)C)C)C)O)(C)O.O.O

IUPAC Name

(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-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-1-oxa-6-azacyclopentadecan-15-one;dihydrate

InChIKey

SRMPHJKQVUDLQE-KUJJYQHYSA-N

INCHI

1S/C38H72N2O12.2H2O/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28;;/h20-33,35,41-43,45-46H,15-19H2,1-14H3;2*1H2/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)(C)O)C)C)C)O)(C)O.O.O

WGK Germany

3

RTECS

RN6960000

Molecular Weight

785.02

Reaxy-Rn

24867571

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24867571&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: Aminoglycosides
• Alternative Parents: Macrolides and analogues O-glycosyl compounds Oxanes Monosaccharides Tertiary alcohols Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Lactones Polyols Acetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Aminoglycoside core - Macrolide - Glycosyl compound - O-glycosyl compound - Monosaccharide - Oxane - Tertiary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Acetal - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Polyol - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Organonitrogen compound - Organopnictogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
• External Descriptors: hydrate

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

• Specific Rotation[α]: -47° (C=2,EtOH)
• Boil Point(°C): 717℃
• Melt Point(°C): 126℃
• Molecular Weight: 785.000 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 784.53 Da
• Monoisotopic Mass: 784.53 Da
• Topological Polar Surface Area: 182.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1150.000
• 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: 3

XLogP3