Desosaminylazithromycin
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Basic information
- CAS
117693-41-1- Standard SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O- InChIKey
PXDYILJJHOVNLO-NZMWSZMZSA-N- Molecular formula
- C30H58N2O9
- Average molar mass
- 590.8 g/mol
- Monoisotopic mass
- 590.41423143
Names & identifiers
- Preferred name
- Desosaminylazithromycin
- IUPAC
- (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-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
- English name
- DesosaMinylazithroMycin
- Molecular formula
- C30H58N2O9
- Molecular weight
- 590.79
Names & synonyms
Desosaminylazithromycin117693-41-1Descladinose Azithromycin13-o-DecladinosylazithromycinCP 66458E4730HW9T7CP-664581-Oxa-6-azacyclopentadecan-15-one, 2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-1-Oxa-6-azacyclopentadecan-15-one, 2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-, (2R-(2R*,3S*,4R*,5R*,8R*,10R*,11R*,12S*,13S*,14R*))-1-Oxa-6-azacyclopentadecan-15-one, 2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-1-Oxa-6-azacyclopentadecan-15-one, 2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy]-, [2R-(2R*,3S*,4R*,5R*,8R*,10R*,11R*,12S*,13S*,14R*)]-RefChem:1083198
Show more names
Azithromycin-5DesosaMinylazithroMycAzithromycin mpurity JAzithromycin Impurity J(BP)USP DesosaminylazithromycinDesosaminylazithromycin (USP)Azithromycin EP Impurity J(USP)
Azithromycin Impurity Jdescladinosyl azithromycinDecladinosylazithromycin(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-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-oneC30H58N2O9Azithromycin impurity J [EP]UNII-E4730HW9T7orb2893525
Database identifiers
- CAS
117693-41-1- PubChem CID
- 9851445
- ChEMBL
CHEMBL1645595- UNII
- E4730HW9T7
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 849
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Azithromycin
Physicochemical properties
- Melting point
- 137 · 137-140 °C
- Boiling point
- 727.3 · 727.3±60.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 13.29 · 13.29±0.70(Predicted)
- CAS DataBase Reference
- 117693 · 117693-41-1
- FDA UNII
- 4730 HW9T7 · E4730HW9T7
- HS Code
- 2934990002 · 2934990002
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934990002
Chemistry & industry
Applications
UsesDescladinose Azithromycin is a metabolite of the semi-synthetic macrolide antibiotic Azithromycin (A927000).
UsesDescladinose Azithromycin (Azithromycin EP Impurity J) is a metabolite of the semi-synthetic macrolide antibiotic Azithromycin (A927000).
Related reactions
0 records
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Compound notes
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