Lumateperone tosylate

C₃₁H₃₆FN₃O₄SCAS 1187020-80-9565.70 g/mol

Open in Covalent MOL file

Aryl halide Ketone Sulfonic acid Tertiary amine

Properties

Molecular formula: C₃₁H₃₆FN₃O₄S
Molar mass: 565.70 g/mol
Exact mass: 565.2411 Da
logP: 5.16Crippen estimate
Polar surface area: 81.2 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 6
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

1187020-80-9

SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCN2[C@H]3CCN(C[C@H]3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)F

InChIKey

LHAPOGAFBLSJJQ-GUTACTQSSA-N

InChI

InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1

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Names and synonyms

1 names

Lumateperone (tosylate)

Work with Lumateperone tosylate

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

Benperidol2062-84-236 % similar Fluanisone1480-19-936 % similar Haloperidol52-86-833 % similar Azaperone1649-18-933 % similar Pipamperone1893-33-031 % similar Droperidol548-73-231 % similar D-Alanine benzyl ester p-toluenesulfonate41036-32-230 % similar L-Alanine benzyl ester tosylate42854-62-630 % similar

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

Elsewhere

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