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Azithromycin-D3

CAT: 1299-RM-A165101-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A165101-01Size:10 mg
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CAS Number
163921-65-1
Synonyms
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R) -11- (((2S,3R,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -2-ethyl-3,4,10-trihydroxy-13- (((2R,4R,5S,6S) -5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -3,5,8,10,12,14-hexamethyl-6- (methyl-d3) -1-oxa-6-azacyclopentadecan-15-one
Molecular Formula
C38H69D3N2O12
Molecular Weight
752.01
Target Alternative Name
Azithromycin
Product Name Synonym
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R) -11- (((2S,3R,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -2-ethyl-3,4,10-trihydroxy-13- (((2R,4R,5S,6S) -5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -3,5,8,10,12,14-hexamethyl-6- (methyl-d3) -1-oxa-6-azacyclopentadecan-15-one

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-217686AAzithromycin-d3
TMIJ-0111-01Azithromycin-13C-d3
HY-17506S1Azithromycin-13C, d3
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HY-W654064Azithromycin-13C, d3-1
AR-A07949-01Azithromycin Impurity 14-13C, d3
CS-O-57316Azithromycin-13C, d3 (N-Methyl)
N292403Nitroso N-De Methyl Azithromycin-D3
CS-O-53431N-Nitroso Azithromycin EP impurity A-d3
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