Products 89848-49-7

CAS 89848-49-7 appears in our catalog under these names: Itraconazole EP Impurity D, Itraconazole Impurity 4(Itraconazole EP Impurity D), Isopropyl Itraconazole, Isopropyl Itraconazole, 95%, 95%, RAC-ITRACONAZOLE ISOPROPYL ANALOG. Offered by: Chemat Brand, Hubei YoungXin, TRC, Chemat, Sigma-Aldrich. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.

Structural formula: {0} (CAS {1})

4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one (CAS 89848-49-7) is a chemical compound with the molecular formula C34H36Cl2N8O4 and a molecular weight of 691.6 g/mol. IUPAC name: 4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one. InChIKey: YPJNBOZLRNFTJN-KAODMTDESA-N.

Identity
Molecular formulaC34H36Cl2N8O4
Molecular weight691.6 g/mol
IUPAC name4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one
InChIKeyYPJNBOZLRNFTJN-KAODMTDESA-N
SMILESCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@@H]5CO[C@@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

Computed by PubChem (NCBI)