Omeprazole ep impurity F

C₁₆H₁₃N₃O₂SCAS 125656-82-8311.36 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₃N₃O₂S
Molar mass: 311.36 g/mol
Exact mass: 311.0728 Da
logP: 2.89Crippen estimate
Polar surface area: 48.0 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

125656-82-8

SMILES

CC1=CN2C(=C(C1=O)C)C(=S)N3C2=NC4=C3C=CC(=C4)OC

InChIKey

ZHCRAWLAWCUHBF-UHFFFAOYSA-N

InChI

InChI=1S/C16H13N3O2S/c1-8-7-18-13(9(2)14(8)20)15(22)19-12-5-4-10(21-3)6-11(12)17-16(18)19/h4-7H,1-3H3

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Work with Omeprazole ep impurity F

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-((6-Methoxy-1H-benzimidazole-2-sulfinyl)methyl)-3,5-dimethylpyridin-4(1H)-one301669-82-934 % similar 5-Methoxy-2-methylbenzoselenazole2946-17-032 % similar 5-Methoxy-2-methylbenzothiazole2941-69-732 % similar 6-Methoxy-2-methylbenzothiazole2941-72-232 % similar 2,3-Dichloro-6-methoxyquinoxaline39267-04-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

9-Methoxy-1,3-dimethyl-12-thioxopyrido[1′,2′:3,4]imidazo[1,2-a]benzimidazol-2(12H)-one125656-83-9

Elsewhere

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