chempirical

Amisulpride

C17H27N3O4SCAS 71675-85-9369.48 g/mol

Open in Covalent MOL file
NNHOSOONH2O
EtherPrimary amineSulfoneTertiary amine

Properties

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

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)

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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-(ethylsulfonyl)-2-methoxybenzoic 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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