Erythromycin, anhydro-, N-oxide

Base Information

• Chemical Name: Erythromycin, anhydro-, N-oxide
• CAS No.: 63950-90-3
• Molecular Formula: C37H67NO14
• Molecular Weight: 731.914
• UNII: T9KL5GX5WQ
• DSSTox Substance ID: DTXSID50213784
• Nikkaji Number: J428.533F
• Wikidata: Q83089377
• Mol file: 63950-90-3.mol

Synonyms:Erythromycin A N-oxide;Erythromycin, anhydro-, N-oxide;992-65-4;T9KL5GX5WQ;(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-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-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide;63950-90-3;Anhydroerythromycin-N-oxide;Erythromycin, N-oxide;USAF EL-99;UNII-T9KL5GX5WQ;SCHEMBL14342543;DTXSID50213784;LUIPOVCSQJTWHA-RWJQBGPGSA-N;ERYTHROMYCIN A 3''-N-OXIDE;ERYTHROMYCIN IMPURITY H [EP IMPURITY]

Chemical Property of Erythromycin, anhydro-, N-oxide

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 749.45615581
• Heavy Atom Count: 52
• Complexity: 1220

Purity/Quality:

ANHYDRO ERYTHROMYCIN-N-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)[N+](C)(C)[O-])O)(C)O)C)C)O)(C)O
• Isomeric 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-])O)(C)O)C)C)O)(C)O