Nefazodone hydrochloride

C25H33Cl2N5O2CAS 82752-99-6506.47 g/mol

Open in Covalent MOL file
NNNNClONOHCl
Aryl halideEtherTertiary amine

Properties

Molecular formula
C25H33Cl2N5O2
Molar mass
506.47 g/mol
Exact mass
505.2011 Da
Melting point
186–188 °C
logP
3.97Crippen estimate
Polar surface area
55.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
10

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
82752-99-6
SMILES
CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1.Cl
InChIKey
DYCKFEBIOUQECE-UHFFFAOYSA-N
InChI
InChI=1S/C25H32ClN5O2.ClH/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22;/h3-6,8-11,20H,2,7,12-19H2,1H3;1H

Weigh it out

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

Names and synonyms

9 names
  • 3H-1,2,4-Triazol-3-one, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-, hydrochloride (1:1)
  • 3H-1,2,4-Triazol-3-one, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-, monohydrochloride
  • BMY 13754
  • MJ 13754-1
  • Serzone
  • BMY 13754-1
  • Serazone
  • Dutonin
  • 1-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride

Work with Nefazodone 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.

Nefazodone83366-66-9Free base

Similar compounds

Trazodone hydrochloride25332-39-257 % similar Trazodone19794-93-553 % similar 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride52605-52-442 % similar 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride57059-62-842 % similar 5-Ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one95885-13-538 % similar 1-(3-Chlorophenyl)-4-(3-chloropropyl)-piperazine39577-43-037 % similar 4-(3-Chlorophenyl)-α-(diphenylmethyl)-1-piperazineethanol dihydrochloride193611-72-236 % similar Flibanserin hydrochloride147359-76-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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