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Azithromycin

CAT: 1299-RM-A165100-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A165100-01Size:10 mg
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CAS Number
83905-01-5
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) -3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular Formula
C38H72N2O12
Molecular Weight
748.98
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) -3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one

Chemical Information

Azithromycin

Azithromycin is a macrolide antibiotic useful for the treatment of bacterial infections. It has a role as a xenobiotic, an antibacterial drug and an environmental contaminant. It is a conjugate base of an azithromycin(2+).

CAS Number83905-01-5
PubChem CID447043
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
Molecular FormulaC38H72N2O12
Molecular Weight749.0
XLogP4
Topological Polar Surface Area180
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count52
Formal Charge0
Complexity1150
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
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
InChIKey
MQTOSJVFKKJCRP-BICOPXKESA-N
Chemical Structure
2D Structure
2D structure of Azithromycin
CAS: 83905-01-5
CID: 447043
Formula: C38H72N2O12
MW: 749.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight749.0
XLogP34
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass748.50852574
Monoisotopic Mass748.50852574
Topological Polar Surface Area180 Ų
Heavy Atom Count52
Formal Charge0
Complexity1150
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-254949Azithromycin

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