Remoxipride

C₁₆H₂₃BrN₂O₃CAS 80125-14-0371.28 g/mol

Open in Covalent MOL file

Aryl halide Ether Tertiary amine

Properties

Molecular formula: C₁₆H₂₃BrN₂O₃
Molar mass: 371.28 g/mol
Exact mass: 370.0892 Da
logP: 3.26Crippen estimate
Polar surface area: 54.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

80125-14-0

SMILES

CCN1CCC[C@H]1CN=C(O)c1c(OC)ccc(Br)c1OC

InChIKey

GUJRSXAPGDDABA-NSHDSACASA-N

InChI

InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1

Weigh it out

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

Names and synonyms

8 names

Benzamide, 3-bromo-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2,6-dimethoxy-
Benzamide, 3-bromo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxy-, (S)-
3-Bromo-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2,6-dimethoxybenzamide
(-)-Remoxipride
(S)-Remoxipride
(S)-3-Bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2,6-dimethoxybenzamide
3-Bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
3-Bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-benzamide

Work with Remoxipride

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

(±)-Sulpiride15676-16-155 % similar Levosulpiride23672-07-355 % similar N-(1-Ethyl-2-pyrrolidinylmethyl)-2-methoxy-5-(ethylsulfonyl)benzamide hydrochloride23694-17-953 % similar Amisulpride71675-85-949 % similar Alizapride59338-93-139 % similar (2R)-1-Ethyl-2-pyrrolidinemethanamine22795-97-732 % similar (2S)-1-Ethyl-2-pyrrolidinemethanamine22795-99-932 % similar 2-(Aminomethyl)-1-ethylpyrrolidine26116-12-132 % similar

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

Elsewhere

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