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Azithromycin Dihydrate 500mg

CAT: 0628-A16421-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A16421-500Size:500 mg
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CAS Number
117772-70-0

Chemical Information

Azithromycin Dihydrate

Azithromycin dihydrate is a hydrate. It contains an azithromycin.

CAS Number117772-70-0
PubChem CID3033819
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
Molecular FormulaC38H76N2O14
Molecular Weight785.0
Topological Polar Surface Area182
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Heavy Atom Count54
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.O.O
InChI
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
InChIKey
SRMPHJKQVUDLQE-KUJJYQHYSA-N
Chemical Structure
2D Structure
2D structure of Azithromycin Dihydrate
CAS: 117772-70-0
CID: 3033819
Formula: C38H76N2O14
MW: 785.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight785.0
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass784.52965510
Monoisotopic Mass784.52965510
Topological Polar Surface Area182 Ų
Heavy Atom Count54
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 Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
A024-25MGAzithromycin dihydrate
257197-01Azithromycin dihydrate discontinued
17156-01Azithromycin Dihydrate (AZA), 96%
A5050Azithromycin Dihydrate (CP-62993, XZ-450, Azitrocin, Ribotrex, Sumamed, Trozocina, Zithromaz, Zitromax)
B1398-25Azithromycin

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