chempirical

Aspisol

C15H22N2O6CAS 62952-06-1326.35 g/mol

Open in Covalent MOL file
OOOOHH2NNH2OOH
Carboxylic acidEsterPrimary amine

Properties

Molecular formula
C15H22N2O6
Molar mass
326.35 g/mol
Exact mass
326.1478 Da
Melting point
155 °C
logP
0.84Crippen estimate
Polar surface area
152.9 Ų
H-bond donors / acceptors
4 / 6
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
62952-06-1
SMILES
CC(=O)Oc1ccccc1C(=O)O.NCCCCC(N)C(=O)O
InChIKey
JJBCTCGUOQYZHK-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O4.C6H14N2O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4-2-1-3-5(8)6(9)10/h2-5H,1H3,(H,11,12);5H,1-4,7-8H2,(H,9,10)

Weigh it out

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

Names and synonyms

35 names · show all
  • Lysine, 2-(acetyloxy)benzoate (1:1)
  • DL-Lysine, mono[2-(acetyloxy)benzoate]
  • Lysine, mono[2-(acetyloxy)benzoate]
  • Benzoic acid, 2-(acetyloxy)-, compd. with DL-lysine (1:1)
  • Benzoic acid, 2-(acetyloxy)-, compd. with lysine (1:1)
  • Acetylsalicylic acid DL-lysine salt
  • Venopirin
  • Aspirisine
  • Lysine acetylsalicylate
  • Acetylsalicylic acid lysine salt
  • DL-Lysine acetylsalicylate
  • Egicalm
  • Solpirin
  • Aspegic
  • Aspirin lysine salt
  • Vetalgine
  • Cogla
  • Laboprin
  • Acelysin
  • Atselizin
  • Quinvet
  • Lysine monosalicylate acetate
  • Vetalgina
  • Aspidol
  • Lysal
  • Aspirin DL-lysine
  • LAS
  • Delgesic
  • Acelysine
  • Asalis
  • Aspirin-dl-lysine
  • DL-Lysine aspirin salt
  • o-Acetylsalicylic acid D,L-lysine salt
  • 2,6-Diaminohexanoic acid compound with 2-acetoxybenzoic acid (1:1)
  • Lysini racemici acetylsalicylase

Work with Aspisol

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.

Lysine monohydrate39665-12-8Hydrate, defined stereoisomer Aspirin50-78-2Free acid Lysine70-54-2Free base Polylysine25104-18-1Free base, defined stereoisomer L-Lysine56-87-1Free base, defined stereoisomer D-Lysine923-27-3Free base, defined stereoisomer Ibuprofen lysine57469-77-9Salt, defined stereoisomer L-Lysine monohydrochloride657-27-2Salt, defined stereoisomer Lysine clonixinate55837-30-4Salt, defined stereoisomer Bendazac L-lysine salt81919-14-4Salt, defined stereoisomer Lysine glutamate5408-52-6Salt, defined stereoisomer DL-Lysine hydrochloride70-53-1Salt

Similar compounds

Acetylsalicylsalicylic acid530-75-654 % similar 3-Acetoxy-O-toluic acid168899-58-946 % similar Ornithine70-26-846 % similar Ornithine acetate60259-81-645 % similar DL-ornithine hydrochloride1069-31-443 % similar (R)-Ornithine hydrochloride16682-12-543 % similar Ornithine hydrochloride3184-13-243 % similar Ornithine dihydrochloride6211-16-143 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook