(+)-Lansoprazole

C₁₆H₁₄F₃N₃O₂SCAS 138530-94-6369.36 g/mol

Open in Covalent MOL file

Alkyl halide Ether Sulfoxide

Properties

Molecular formula: C₁₆H₁₄F₃N₃O₂S
Molar mass: 369.36 g/mol
Exact mass: 369.0759 Da
logP: 3.52Crippen estimate
Polar surface area: 67.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H317 May cause an allergic skin reaction66.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H351 Suspected of causing cancer33.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

138530-94-6

SMILES

Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1

InChIKey

MJIHNNLFOKEZEW-RUZDIDTESA-N

InChI

InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/t25-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all

2-[(R)-[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole
1H-Benzimidazole, 2-[(R)-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-
1H-Benzimidazole, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-, (R)-
R-(+)-Lansoprazole
(R)-2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazole
(R)-2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole
Dexlansoprazole
(R)-Lansoprazole
T 168390
TAK 390
Dexilant
Dextrolansoprazole
(+)-Lansoprazol
2-[(R)-[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole

Work with (+)-Lansoprazole

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Lansoprazole103577-45-3Stereo not defined

Similar compounds

Rabeprazole117976-89-370 % similar Lansoprazole sulfide103577-40-866 % similar Lansoprazole sulfone131926-99-363 % similar Ilaprazole172152-36-256 % similar 3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinemethanol103577-66-849 % similar 2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine128430-66-049 % similar 2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride127337-60-447 % similar 2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride253345-80-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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