Primary Record
Itraconazole Impurity 68
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 175674215
- SMILES
- CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[N+](CC3)(C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl)[O-].CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[N+](CC3)(C4=CC=C(C=C4)OC[C@@H]5CO[C@@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl)[O-]
- Canonical SMILES
- CCC(C)n1ncn(-c2ccc(N3CC[N+]([O-])(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O.CCC(C)n1ncn(-c2ccc(N3CC[N+]([O-])(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O
Names & Synonyms
- Itraconazole Impurity 68
- Itraconazole Impurity 70
- 1-(4-(((2R,4S)-2-((1H-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(4-(1-(sec-butyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl)piperazine 1-oxide--1-(4-(((2S,4R)-2-((1H-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(4-(1-(sec-butyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl)piperazine 1-oxide (1/1)