Erythromycin nalidixate
TL;DR: Erythromycin nalidixate (CAS 167029-45-0) is a chemical compound with molecular formula C49H79N3O16 and molecular weight 965.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S,5S,6R,7R,9R,11R,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-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Also Known As: Erythromycin nalidixate, Erythromycin, 1,4-dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate, Erythromycin, 1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate, (3R,4S,5S,6R,7R,9R,11R,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-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid, (3R,4S,5S,6R,7R,9R,11R,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-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione; 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
| Molecular Formula | C49H79N3O16 |
|---|---|
| Molecular Weight | 965.55 g/mol |
| LogP | 3.21 |
| Topological Polar Surface Area | 264.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 965.546 |
| Heavy Atoms | 68 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 167029-45-0 |
|---|---|
| SMILES | CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[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.CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O |
| InChIKey | CWQUMFCKXBZHJP-YZPBMOCRSA-N |
Product Overview
Erythromycin nalidixate (CAS 167029-45-0), with molecular formula C49H79N3O16 and molecular weight 965.55 g/mol. IUPAC: (3R,4S,5S,6R,7R,9R,11R,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-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.
Chemical Property Profile of Erythromycin nalidixate
Property Insights of Erythromycin nalidixate
The XLogP value of 3.21 indicates that Erythromycin nalidixate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 264.0 Ų indicates high polarity, suggesting Erythromycin nalidixate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Erythromycin nalidixate has 6 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Erythromycin nalidixate?
The CAS number of Erythromycin nalidixate is 167029-45-0.
What is the molecular formula of Erythromycin nalidixate?
The molecular formula of Erythromycin nalidixate is C49H79N3O16.
What is the molecular weight of Erythromycin nalidixate?
The molecular weight of Erythromycin nalidixate is 965.55 g/mol.
Where can I buy Erythromycin nalidixate?
You can request a quote for Erythromycin nalidixate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Erythromycin nalidixate?
Yes, KEHONG BIO provides custom synthesis services for Erythromycin nalidixate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.