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Lexithromycin

CAT: 0804-HY-105932-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-105932-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Lexithromycin is an erythromycin A derivative, with antibacterial activity.
CAS Number
53066-26-5
Product Name Alternative
Erythromycin A 9-methoxime; Wy 48314
UNSPSC
12352005
Target
Antibiotic; Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/Lexithromycin.html
Purity
97.57
Solubility
DMSO : 50 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CO[C@@](C)([C@@H](O)[C@H](C)O1)C[C@]1([H])O[C@@]([C@H]2C)([H])[C@@H]([C@H]([C@](O)(C[C@H](/C([C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC2=O)=N\OC)C)C)O[C@@]3([H])[C@@H]([C@H](C[C@@H](C)O3)N(C)C)O)C
Molecular Formula
C38H70N2O13
Molecular Weight
762.97
References & Citations
[1]Hunt E, et al. Erythromycin A 11,12-methylene acetal. J Antibiot (Tokyo) . 1988 Nov;41 (11) :1644-8.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Lexithromycin
CAS Number53066-26-5
PubChem CID6532846
IUPAC Name(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Molecular FormulaC38H70N2O13
Molecular Weight763.0
XLogP3.3
Topological Polar Surface Area198
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count53
Formal Charge0
Complexity1230
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OC)/[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)O)(C)O
InChI
InChI=1S/C38H70N2O13/c1-15-26-38(10,46)31(42)21(4)28(39-48-14)19(2)17-36(8,45)33(53-35-29(41)25(40(11)12)16-20(3)49-35)22(5)30(23(6)34(44)51-26)52-27-18-37(9,47-13)32(43)24(7)50-27/h19-27,29-33,35,41-43,45-46H,15-18H2,1-14H3/b39-28+/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
InChIKey
HPZGUSZNXKOMCQ-SQYJNGITSA-N
Chemical Structure
2D Structure
2D structure of Lexithromycin
CAS: 53066-26-5
CID: 6532846
Formula: C38H70N2O13
MW: 763.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight763.0
XLogP33.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass762.48779029
Monoisotopic Mass762.48779029
Topological Polar Surface Area198 Ų
Heavy Atom Count53
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1133-10Lexithromycin
A19193-100Lexithromycin 100mg
A19193-25Lexithromycin 25mg
A19193-5Lexithromycin 5mg
A19193-10Lexithromycin 10mg
A19193-50Lexithromycin 50mg

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