chempirical

Guanfacine hydrochloride

C9H10Cl3N3OCAS 29110-48-3282.55 g/mol

Open in Covalent MOL file
HClNHNH2NHOClCl
Aryl halide

Properties

Molecular formula
C9H10Cl3N3O
Molar mass
282.55 g/mol
Exact mass
280.9889 Da
Melting point
213–216 °C
logP
2.81Crippen estimate
Polar surface area
82.5 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
2

Identifiers

CAS number
29110-48-3
SMILES
Cl.N=C(N)N=C(O)Cc1c(Cl)cccc1Cl
InChIKey
DGFYECXYGUIODH-UHFFFAOYSA-N
InChI
InChI=1S/C9H9Cl2N3O.ClH/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13;/h1-3H,4H2,(H4,12,13,14,15);1H

Weigh it out

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

Names and synonyms

12 names
  • LON 798
  • Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-, hydrochloride (1:1)
  • Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-, monohydrochloride
  • [(2,6-Dichlorophenyl)acetyl]guanidine monohydrochloride
  • 2,6-Dichlorophenylacetylguanidine hydrochloride
  • BS 100-141
  • N-Amidino-2-(2,6-dichlorophenyl)acetamide hydrochloride
  • Estulic
  • Tenex
  • Tenex (pharmaceutical)
  • SPD 503
  • INTUNIV

Work with Guanfacine 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

Similar compounds

2,6-Dichlorophenylacetic acid6575-24-240 % similar Amiloride hydrochloride2016-88-837 % similar N-Amidino-3,5-diamino-6-chloropyrazinamide hydrochloride dihydrate17440-83-435 % similar 6-Chlorooxindole56341-37-835 % similar 5-(2-Chloroethyl)-6-chlorooxindole118289-55-735 % similar Ropinirole hydrochloride91374-20-835 % similar 4-Chloro-5,7-dihydro-6H-pyrrolo[2,3-D]pyrimidin-6-one346599-63-134 % similar Anagrelide hydrochloride58579-51-434 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook