4-Methoxy-6-(((6-methoxy-1H-benzimidazol-2-yl)sulfinyl)methyl)-5-methyl-3-pyridinecarboxylic acid
Basic information
- CAS
120003-72-7- Standard SMILES
COc1ccc2nc(S(=O)Cc3ncc(C(=O)O)c(OC)c3C)[nH]c2c1- InChIKey
QRGFNZYFRUUYBG-UHFFFAOYSA-N- Molecular formula
- C17H17N3O5S
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.08889182
Names & identifiers
- Preferred name
- 4-Methoxy-6-(((6-methoxy-1H-benzimidazol-2-yl)sulfinyl)methyl)-5-methyl-3-pyridinecarboxylic acid
- IUPAC
- 4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridine-3-carboxylic acid
- English name
- 2-[(5-Carboxy-4-methoxy-3-methylpyrid-2-yl)-methylsulfo]-5-methoxybenzimidazole
- Molecular formula
- C17H17N3O5S
- Molecular weight
- 375.4
Names & synonyms
Carboxyomeprazole120003-72-74-Methoxy-6-(((6-methoxy-1H-benzimidazol-2-yl)sulfinyl)methyl)-5-methyl-3-pyridinecarboxylic acidUNII-6YUG14384Y6YUG14384Y3-Pyridinecarboxylic acid, 4-methoxy-6-(((5-methoxy-1H-benzimidazol-2-yl)sulfinyl)methyl)-5-methyl-3-Pyridinecarboxylic acid, 4-methoxy-6-(((6-methoxy-1H-benzimidazol-2-yl)sulfinyl)methyl)-5-methyl-3-Pyridinecarboxylic acid, 4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-RefChem:1987164-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridine-3-carboxylic acid4-Methoxy-6-(((6-methoxy-1H-benzo[d]imidazol-2-yl)sulfinyl)methyl)-5-methylnicotinic acid3-Pyridinecarboxylicacid, 4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-5-methyl-
Show more names
Omeprazole Acid ImpurityEsomeprazole Impurity 165 Monomer2-[(5-carboxy-4-methoxy--3-methyl-pyrid-2-yl)-methyl-sulfo-]-5-methoxy--benz-imidazole4-METHOXY-6-[(5-METHOXY-2-BENZIMIDAZOLYL)SULFINYLMETHYL]-5-METHYL-3-PYRIDINE CARBOXYLIC ACID
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 537
Physicochemical properties
- FDA UNII
- 6 YUG14384Y · 6YUG14384Y
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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