5-(Difluoromethoxy)-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]sulfanyl}-1-(beta-L-glycero-hexopyranuronosyl)-1H-benzimidazole
[CAS# 867300-67-2]

Identification

• Name: 5-(Difluoromethoxy)-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]sulfanyl}-1-(beta-L-glycero-hexopyranuronosyl)-1H-benzimidazole
• Synonyms: Pantoprazole Sulfide-¦Â-D-glucuronide; Pantoprazole Sulfide-β-D-glucuronide
• Molecular Formula: C₂₂H₂₃F₂N₃O₉S
• Molecular Weight: 543.49
• CAS Registry Number: 867300-67-2
• SMILES: COc1ccnc(c1OC)CSc2nc3cc(ccc3n2[C@@H]4C(C([C@H](C(O4)C(=O)O)O)O)O)OC(F)F
• InChI: 1S/C22H23F2N3O9S/c1-33-13-5-6-25-11(17(13)34-2)8-37-22-26-10-7-9(35-21(23)24)3-4-12(10)27(22)19-16(30)14(28)15(29)18(36-19)20(31)32/h3-7,14-16,18-19,21,28-30H,8H2,1-2H3,(H,31,32)/t14?,15-,16?,18?,19+/m1/s1
• InChIKey: DEFATFFTNRHGJX-QPQHNHPXSA-N

Properties

• Density: 1.681g/cm³ (Cal.)
• Boiling point: 785.643°C at 760 mmHg (Cal.)
• Flash point: 428.942°C (Cal.)
• Refractive index: 1.67 (Cal.)