chempirical

Vilazodone hydrochloride

C26H28ClN5O2CAS 163521-08-2477.99 g/mol

Open in Covalent MOL file
HClNHNNNONH2O
NitrileTertiary amine

Properties

Molecular formula
C26H28ClN5O2
Molar mass
477.99 g/mol
Exact mass
477.1932 Da
Melting point
277–279 °C
logP
5.24Crippen estimate
Polar surface area
103.3 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
7

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
163521-08-2
SMILES
Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(=N)O)cc5c4)CC3)c2c1
InChIKey
RPZBRGFNBNQSOP-UHFFFAOYSA-N
InChI
InChI=1S/C26H27N5O2.ClH/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32;/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);1H

Weigh it out

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

Names and synonyms

5 names
  • 2-Benzofurancarboxamide, 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-, hydrochloride (1:1)
  • 2-Benzofurancarboxamide, 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-, monohydrochloride
  • SB 659746A
  • EMD 68843
  • Viibryd

Work with Vilazodone 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.

Vilazodone163521-12-8Free base

Similar compounds

3-(4-Chlorbutyl)-1H-indol-5-carbonitril143612-79-744 % similar 5-(1-Piperazinyl)benzofuran-2-carboxamide183288-46-231 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook