CAS Number102961-72-8
SynonymsZispin; UNII:A051Q2099Q; 2-Methyl-1,2,3,4,10,14b-hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine; 2-Methyl-1,2,3,4,10,14b-hexahydrobenzo[c]pyrazino[1,2-a]pyrido[3,2-f]azepine; Avanza; Remeron; A40926
Molecular FormulaC83H86Cl2N8O30
Molecular Weight265.353
Purity≥75 (HPLC)%
Density1.2±0.1 g/cm3
Boiling Point432.4±45.0 °C at 760 mmHg
Melting Point>160℃ (dec.)
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 102961-72-8 |
| Catalog No. | 2A-2175099 |
| Chinese Name | 达巴霉素杂质 |
| Synonyms | Zispin; UNII:A051Q2099Q; 2-Methyl-1,2,3,4,10,14b-hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine; 2-Methyl-1,2,3,4,10,14b-hexahydrobenzo[c]pyrazino[1,2-a]pyrido[3,2-f]azepine; Avanza; Remeron; A40926 |
| Molecular Formula | C83H86Cl2N8O30 |
| Molecular Weight | 265.353 |
| Purity | ≥75 (HPLC) |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 432.4±45.0 °C at 760 mmHg |
| Melting Point | >160℃ (dec.) |
| Appearance | powder |
| Storage Condition | room temperature |
| Application | A40926, the precursor of Dalbavancin, is a second-generation glycopeptide antibiotic. A40926 inhibits Gram-positive bacteria and is highly effective against Neisseria gonorrhoeae. |
| SMILES | CC(C)CCCCCCCC(=O)NC1C(Oc2c3cc4cc2Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C4NC(=O)C4NC(=O)C(Cc5ccc(cc5)O3)NC(=O)C(N(C)C)c3ccc(O)c(c3)Oc3cc(O)c(Cl)c4c3)c3ccc(O)c(c3)-c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3C(C(=O)NCCCN(C)C)NC2=O)OC(C(=O)O)C(O)C1O.Cl |
| InChI Key | SNSXACHJXZAERT-UHFFFAOYSA-N |
| NACRES Code | NA.85 |
| UNSPSC | 41116107 |
| Transport Info | Product Name: Dalbavancin Impurity |
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