Omeprazole sulfone
Properties
- Molecular formula
- C17H19N3O4S
- Molar mass
- 361.42 g/mol
- Exact mass
- 361.1096 Da
- logP
- 2.57Crippen estimate
- Polar surface area
- 94.2 Ų
- H-bond donors / acceptors
- 1 / 6
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation90.7% of notifiers
- H319 Causes serious eye irritation90.7% of notifiers
- H335 May cause respiratory irritation90.7% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
88546-55-8SMILES
COc1ccc2nc(S(=O)(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1InChIKey
IXEQEYRTSRFZEO-UHFFFAOYSA-NInChI
InChI=1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 1H-Benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-
- 1H-Benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-
- 6-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole
- H 168/66
- Omeprazole sulphone
- 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfonyl]-1H-benzimidazole
- 2-[(3,5-Dimethyl-4-methoxy-2-pyridyl)methylsulfonyl]-5-methoxy-1H-benzimidazole
Work with Omeprazole sulfone
Similar compounds
Omeprazole sulfone N-oxide158812-85-266 % similar
Omeprazole sulfide73590-85-963 % similar
(-)-Omeprazole119141-88-763 % similar
(+)-Omeprazole119141-89-863 % similar
Omeprazole73590-58-663 % similar
(S)-4-Desmethoxy-4-chloro omeprazole863029-89-449 % similar
Esomeprazole magnesium161973-10-047 % similar
5-Methoxy-2-[(3,5-dimethyl-2-pyridinyl)-methylsulfinyl]-benzimidazole110374-16-846 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.