Esomeprazole
C₁₇H₁₉N₃O₃S·345.400 g/mol·CID 9568614
IUPAC: 6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
Also known as: 119141-88-7, (S)-Omeprazole, (-)-Omeprazole, Inexium paranova, (S)-(-)-Omeprazole (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
345.400g/mol
Exact Mass
345.114713Da
Monoisotopic Mass
345.114713Da
XLogP
2.2
Polar Surface Area
96.3Ų
Complexity
453
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
6
Rotatable Bonds
5
Heavy Atoms
24
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 345.4 g/mol
MW ≤ 500
✓ 2.2
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 6
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H312Harmful in contact with skinH315Causes skin irritationH317May cause an allergic skin reactionH319Causes serious eye irritationH335May cause respiratory irritationH412Harmful to aquatic life with long lasting effects
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1
Isomers8 compounds with formula C₁₇H₁₉N₃O₃S
6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 4594 · 345.4 g/mol
5-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
CID 122272 · 345.4 g/mol
6-methoxy-2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 9579578 · 345.4 g/mol
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 1253361 · 345.4 g/mol
1-ethyl-6-piperazin-1-ylsulfonylbenzo[cd]indol-2-one
CID 741724 · 345.4 g/mol
N,1,3,6-tetramethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
CID 5300967 · 345.4 g/mol
N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 2990488 · 345.4 g/mol
2-[(6-ethoxy-1,3-benzothiazol-2-yl)diazenyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 135439904 · 345.4 g/mol