Products 1388148-30-8

CAS 1388148-30-8 appears in our catalog under these names: Posaconazole Impurity 94, Posaconazole Impurity 22, Posaconazole Impurity 40, Posaconazole Benzodiazepine Impurity. Offered by: Chemat Brand, Hubei YoungXin, TRC. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.

Posaconazole Impurity 94
Chemat Brand
  • size: on request
  • Variants: 1
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Posaconazole Impurity 22
Chemat Brand
  • size: on request
  • Variants: 1
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Posaconazole Impurity 40
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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Posaconazole Benzodiazepine Impurity
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

4-[4-[7-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one (CAS 1388148-30-8) is a chemical compound with the molecular formula C36H40F2N8O4 and a molecular weight of 686.7 g/mol. IUPAC name: 4-[4-[7-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one. InChIKey: LWBSOLBLKXOODD-ZPTVKFTMSA-N.

Identity
Molecular formulaC36H40F2N8O4
Molecular weight686.7 g/mol
IUPAC name4-[4-[7-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one
InChIKeyLWBSOLBLKXOODD-ZPTVKFTMSA-N
SMILESCC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCNC4=C(C3)C=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

Computed by PubChem (NCBI)

Synonyms: Posaconazole Benzodiazepine Impurity, Posaconazole Impurity 94, Posaconazole Impurity 22
Isomers (same molecular formula)
4-[4-[3-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]imidazolidin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one C36H40F2N8O4