chempirical

Bendazac L-lysine salt

C22H28N4O5CAS 81919-14-4428.49 g/mol

Open in Covalent MOL file
H2NNH2OOHOOHONN
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C22H28N4O5
Molar mass
428.49 g/mol
Exact mass
428.2060 Da
Melting point
178–181 °C
logP
2.08Crippen estimate
Polar surface area
153.7 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
81919-14-4
SMILES
NCCCC[C@H](N)C(=O)O.O=C(O)COc1nn(Cc2ccccc2)c2ccccc12
InChIKey
OCOCFNMFLNFNIA-ZSCHJXSPSA-N
InChI
InChI=1S/C16H14N2O3.C6H14N2O2/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12;7-4-2-1-3-5(8)6(9)10/h1-9H,10-11H2,(H,19,20);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1

Weigh it out

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

Names and synonyms

7 names
  • L-Lysine, 2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetate (1:1)
  • L-Lysine, mono[[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetate]
  • Acetic acid, [[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-, compd. with L-lysine (1:1)
  • Bendazac lysine salt
  • Bendaline
  • AF 1934
  • Bendazac lysine

Work with Bendazac L-lysine salt

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

Bendazac20187-55-768 % similar L-Lysine-L-aspartate27348-32-944 % similar Lysine glutamate5408-52-644 % similar Polylysine25104-18-142 % similar L-Lysine56-87-142 % similar Lysine70-54-242 % similar D-Lysine923-27-342 % similar Glatiramer acetate147245-92-941 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook