chempirical

Guanabenz acetate

C10H12Cl2N4O2CAS 23256-50-0291.13 g/mol

Open in Covalent MOL file
OOHNHH2NHNNClCl
Aryl halideCarboxylic acidGuanidineHydrazone

Properties

Molecular formula
C10H12Cl2N4O2
Molar mass
291.13 g/mol
Exact mass
290.0337 Da
Melting point
227–229 °C (decomposes)
logP
1.90Crippen estimate
Polar surface area
111.6 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
2

Identifiers

CAS number
23256-50-0
SMILES
CC(=O)O.N=C(N)NN=Cc1c(Cl)cccc1Cl
InChIKey
MCSPBPXATWBACD-UHFFFAOYSA-N
InChI
InChI=1S/C8H8Cl2N4.C2H4O2/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12;1-2(3)4/h1-4H,(H4,11,12,14);1H3,(H,3,4)

Weigh it out

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

Names and synonyms

12 names
  • Hydrazinecarboximidamide, 2-[(2,6-dichlorophenyl)methylene]-, acetate (1:1)
  • Guanidine, [(2,6-dichlorobenzylidene)amino]-, monoacetate
  • Hydrazinecarboximidamide, 2-[(2,6-dichlorophenyl)methylene]-, monoacetate
  • [(2,6-Dichlorobenzylidene)amino]guanidine acetate
  • Wy 8678 acetate
  • 1-(2,6-Dichlorobenzylideneamino)guanidine acetate
  • BR 750
  • Wytensin
  • Guanabenz monoacetate
  • Rexitene
  • Tenelid
  • Wytens

Work with Guanabenz acetate

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

Dodine2439-10-340 % similar 2-[Cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide84689-20-336 % similar Arginine acetate71173-62-136 % similar Guanidinium acetate593-87-336 % similar 2-[(2-Chlorophenyl)methylene]hydrazinecarbothioamide5706-78-535 % similar 2,6-Dichlorobenzaldehyde oxime25185-95-935 % similar Phenylguanidine bicarbonate6685-76-335 % similar 3-(2,6-Dichlorophenyl)-2-propenoic acid5345-89-134 % similar

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

Elsewhere

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