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Azithromycin EP Impurity M

CAT: 1596-AR-A13980-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A13980-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
765927-71-7
Synonyms
3’-N, N-Di (desmethyl) -3’-N-formyl Azithromycin; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R) -13-[ (2,6-Dideoxy-3-C-methyl-3-O-methyl-?-L-ribo-hexopyranosyl) oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3- (formylamino) -?-D-xylo-hexopyranosyl]oxy]-1-oxa-6-azacyclopentadecan-15-one
Molecular Formula
C37H68N2O13
Molecular Weight
748.95
API Name
Azithromycin

Chemical Information

3'-(N,N-Didemethyl)-3'-N-formylazithromycin
CAS Number765927-71-7
PubChem CID71316017
IUPAC NameN-[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-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-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]formamide
Molecular FormulaC37H68N2O13
Molecular Weight748.9
XLogP3.3
Topological Polar Surface Area206
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count52
Formal Charge0
Complexity1170
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)NC=O)O)(C)O)C)C)C)O)(C)O
InChI
InChI=1S/C37H68N2O13/c1-13-26-37(10,46)30(42)23(6)39(11)17-19(2)15-35(8,45)32(52-34-28(41)25(38-18-40)14-20(3)48-34)21(4)29(22(5)33(44)50-26)51-27-16-36(9,47-12)31(43)24(7)49-27/h18-32,34,41-43,45-46H,13-17H2,1-12H3,(H,38,40)/t19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChIKey
FSUFNIVRKKVCSI-HOQMJRDDSA-N
Chemical Structure
2D Structure
2D structure of 3'-(N,N-Didemethyl)-3'-N-formylazithromycin
CAS: 765927-71-7
CID: 71316017
Formula: C37H68N2O13
MW: 748.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight748.9
XLogP33.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass748.47214023
Monoisotopic Mass748.47214023
Topological Polar Surface Area206 Ų
Heavy Atom Count52
Formal Charge0
Complexity1170
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

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