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General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
Synonyms
Names:
PANTOPRAZOLE
Identifier:
CAS number
102625-70-7
Identifier:
IUPAC name
1H-Benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-
Identifier:
other: names
1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]- (9CI) 6-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole 2-[[(3,4-Dimethoxypyridin-2-yl)methyl]sulfinyl]-5-difluoromethoxy-1H-benzimidazole 5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
Identifier:
other: SMILES notation
C.CC.COc1c(ccnc1CS(=O)c2[nH]c3ccc(cc3n2)OC(F)F)O
Identifier:
other: Molecular formula
C16 H15 F2 N3 O4 S
Identifier:
other: InChl
InChI=1S/C15H13F2N3O4S.C2H6.CH4.FH/c1-23-13-11(18-5-4-12(13)21)7-25(22)15-19-9-3-2-8(24-14(16)17)6-10(9)20-15;1-2;;/h2-6,14H,7H2,1H3,(H,18,21)(H,19,20);1-2H3;1H4;1H
2-{[(3,4-dimethoxy-2-pyridinyl)methyl]-sulfinyl}-5-methyl-1H-1,3-benzimidazole;5-difluoromethoxy-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole

CAS information

CAS number:
102625-70-7

Molecular and structural information

Molecular formula:
C16H15F2N3O4S
Molecular weight:
ca. 383.37
SMILES notation:
COc1ccnc(c1OC)CS(=O)c2[nH]c3ccc(cc3n2)OC(F)F
InChl:
InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
Structural formula:
Chemical structure