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220757-74-4

220757-74-4 Structure

220757-74-4 Structure
IdentificationBack Directory
[Name]

4-Desmethoxy-4-chloro Omeprazole Sulfide
[CAS]

220757-74-4
[Synonyms]

Omeprazole impurity Q
Omeprazole Impurity 57
Esomeprazole EP impurity Q
Esomeprazole Sodium Impurity 16
5-Methoxy-2-[[(4-chloro-3,5-dimethy
4-Desmethoxy-4-chloro Omeprazole Sulfide
5-Methoxy-2-[[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulp
2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6-me...
2-[[(4-Chloro-3,5-dimethyl-2-pyridyl)methyl]thio]-5-methoxybenzimidazole
5-METHOXY-2-[(3,5-DIMETHYL-4-CHLOROPYRIDIN-2-YL)METHYLTHIO] BENZIMIDAZOLE
2-[[(4-Chloro-3,5-dimethyl-2-pyridinyl)methyl]thio]-6-methoxy-1H-benzimidazole
1H-Benzimidazole,2-[[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]thio]-5-methoxy-
1H-Benzimidazole, 2-[[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]thio]-6-methoxy-
5-Methoxy-2-{[(4-chloro-3,5-dimethyl-pyridine-2-yl)methyl]thio}-1H-benzimidazol
5-Methoxy-2-[[(4-chloro-3,5-dimethyl-pyridine-2-yl)methyl]thio]-1H-benzimidazole
2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6-methoxy-1H-benzimidazole
2-(((4-chloro-3,5-dimethylpyridin-2-yl)methyl)thio)-5-methoxy-1H-benzo[d]imidazole
2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6-methoxy-1H-1,3-benzodiazole
2-(((4-chloro-3,5-dimethylpyridin-2-yl)methyl)thio)-5-methoxy-1H-benzo[d]imidazole? (Omeprazole Impurity)
Omeprazole impurity 19/4-Desmethoxy-4-chloro Omeprazole Sulfide/2-[[(4-Chloro-3,5-dimethyl-2-pyridinyl)methyl]thio]-6-methoxy-1H-benzimidazole
[Molecular Formula]

C16H16ClN3OS
[MDL Number]

MFCD09840353
[MOL File]

220757-74-4.mol
[Molecular Weight]

333.84
Chemical PropertiesBack Directory
[Melting point ]

67-71°C
[Boiling point ]

536.0±60.0 °C(Predicted)
[density ]

1.36±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

9.80±0.10(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical small molecule
[InChI]

1S/C16H16ClN3OS/c1-9-7-18-14(10(2)15(9)17)8-22-16-19-12-5-4-11(21-3)6-13(12)20-16/h4-7H,8H2,1-3H3,(H,19,20)
[InChIKey]

UPVARCHBWKDWRW-UHFFFAOYSA-N
[SMILES]

CC1=C(Cl)C(C)=C(CSC2=NC3=C(N2)C=C(OC)C=C3)N=C1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White to Off-White Solid
[Uses]

Impurity G from the synthesis of Omeprazole.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Desmethoxy-4-chloro Omeprazole Sulfide(220757-74-4)1HNMR
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