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Azithromycin-d3

CAT: 0804-HY-17506S-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17506S-02Size:5 mg
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Description
Azithromycin-d3 is the deuterium labeled Azithromycin. Azithromycin (CP-62993) is a macrolide antibiotic useful for the treatment of a number of bacterial infections[1][2].
CAS Number
163921-65-1
UNSPSC
12352005
Target
Antibiotic; Autophagy; Bacterial; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Autophagy; Others
Applications
COVID-19-immunoregulation
Field of Research
Infection; Cancer
Purity
99.7
Solubility
DMSO : ≥100 mg/mL (ultrasonic; warming) |Ethanol : ≥ 100mg/mL
Smiles
C[C@H]([C@@H](O[C@@]([H])([C@@H]1O)O[C@@H](C[C@@H]1N(C)C)C)[C@](C[C@@H](C)CN2C([2H])([2H])[2H])(C)O)[C@H](O[C@@]([H])(C[C@]3(OC)C)O[C@H]([C@@H]3O)C)[C@@H](C)C(O[C@@H]([C@@](O)([C@@H]([C@H]2C)O)C)CC)=O
Molecular Formula
C38H69D3N2O12
Molecular Weight
752.00
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Menzel M, et al. Azithromycin augments rhinovirus-induced IFNβ via cytosolic MDA5 in experimental models of asthma exacerbation. Oncotarget. 2017 Mar 18.|[3]Vandooren J, et al. Differential inhibition of activity, activation and gene expression of MMP-9 in THP-1 cells by azithromycin and minocycline versus bortezomib: A comparative study. PLoS One. 2017 Apr 3;12 (4) :e0174853.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported
Isoform
Macrolide

Chemical Information

Azithromycin-d3

See also: Azithromycin Dihydrate (annotation moved to); Azithromycin (annotation moved to); Auricin (annotation moved to).

CAS Number163921-65-1
PubChem CID71313607
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-3,5,8,10,12,14-hexamethyl-6-(trideuteriomethyl)-1-oxa-6-azacyclopentadecan-15-one
Molecular FormulaC38H72N2O12
Molecular Weight752.0
XLogP4
Topological Polar Surface Area180
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count52
Formal Charge0
Complexity1150
SMILES
[2H]C([2H])([2H])N1C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)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
InChI
InChI=1S/C38H72N2O12/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/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1/i13D3
InChIKey
MQTOSJVFKKJCRP-DAANATKPSA-N
Chemical Structure
2D Structure
2D structure of Azithromycin-d3
CAS: 163921-65-1
CID: 71313607
Formula: C38H72N2O12
MW: 752.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight752.0
XLogP34
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass751.52735597
Monoisotopic Mass751.52735597
Topological Polar Surface Area180 Ų
Heavy Atom Count52
Formal Charge0
Complexity1150
Isotope Atom Count3
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-217686Azithromycin-d3
TMIJ-0111-01Azithromycin-13C-d3
TRC-D288852-5MGDescladinose Azithromycin-d3
CS-O-06431Azithromycin-13C, d3
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AR-A07949-01Azithromycin Impurity 14-13C, d3
CS-O-53431N-Nitroso Azithromycin EP impurity A-d3
N292403Nitroso N-De Methyl Azithromycin-D3
CS-T-104117N-Nitroso-N-Desmethyl Azithromycin-d3
A5050-01Azithromycin-d3 (CP-62993-d3, XZ-450-d3, Azitrocin-d3, Ribotrex-d3, Sumamed-d3, Trozocina-d3, Zithromaz-d3, Zitromax-d3)

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