chempirical

Alizapride hydrochloride

C16H22ClN5O2CAS 59338-87-3351.83 g/mol

Open in Covalent MOL file
OOHNNNHNNHCl
AlkeneAmideEtherTertiary amine

Properties

Molecular formula
C16H22ClN5O2
Molar mass
351.83 g/mol
Exact mass
351.1462 Da
logP
1.77Crippen estimate
Polar surface area
83.1 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
59338-87-3
SMILES
COC1=CC2=C(C=C1C(=O)NCC3CCCN3CC=C)NN=N2.Cl
InChIKey
BRECEDGYMYXGNF-UHFFFAOYSA-N
InChI
InChI=1S/C16H21N5O2.ClH/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2;/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20);1H

Weigh it out

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

Work with Alizapride hydrochloride

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.

Alizapride59338-93-1Free base

Elsewhere

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