Amisulpride

C₁₇H₂₇N₃O₄SCAS 71675-85-9369.48 g/mol

Open in Covalent MOL file

Ether Primary amine Sulfone Tertiary amine

Properties

Molecular formula: C₁₇H₂₇N₃O₄S
Molar mass: 369.48 g/mol
Exact mass: 369.1722 Da
Melting point: 126–127 °C
pKa: 9.37
logP: 1.86Crippen estimate
Polar surface area: 105.2 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed88.5% of notifiers
H312 Harmful in contact with skin14.8% of notifiers
H319 Causes serious eye irritation19.7% of notifiers
H332 Harmful if inhaled14.8% of notifiers
H335 May cause respiratory irritation19.7% of notifiers

Aggregated from 61 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

71675-85-9

SMILES

CCN1CCCC1CN=C(O)c1cc(S(=O)(=O)CC)c(N)cc1OC

InChIKey

NTJOBXMMWNYJFB-UHFFFAOYSA-N

InChI

InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)

Weigh it out

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

Names and synonyms

13 names · show all

Benzamide, 4-amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxy-
4-Amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide
(±)-Amisulpride
DAN 2163
Aminosultopride
Solian
Socian
Deniban
4-Amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide
Amipride
Paxiprid
Joykem
Barhemsys

Work with Amisulpride

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

N-(1-Ethyl-2-pyrrolidinylmethyl)-2-methoxy-5-(ethylsulfonyl)benzamide hydrochloride23694-17-970 % similar (±)-Sulpiride15676-16-163 % similar Levosulpiride23672-07-363 % similar 4-Amino-5-(ethylsulphonyl)-o-anisic acid71675-87-153 % similar Methyl 4-amino-5-ethylsulfonyl-2-methoxybenzoate80036-89-151 % similar Remoxipride80125-14-049 % similar Alizapride59338-93-144 % similar Metoclopramide364-62-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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