chempirical

Aspirin arginine salt

C15H22N4O6CAS 37466-21-0354.36 g/mol

Open in Covalent MOL file
OOOOHNHH2NNHNH2OOH
Carboxylic acidEsterGuanidinePrimary amine

Properties

Molecular formula
C15H22N4O6
Molar mass
354.36 g/mol
Exact mass
354.1539 Da
logP
-0.03Crippen estimate
Polar surface area
188.8 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

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
37466-21-0
SMILES
CC(=O)Oc1ccccc1C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O
InChIKey
FXXXGQLMXDIPQA-VWMHFEHESA-N
InChI
InChI=1S/C9H8O4.C6H14N4O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4(5(11)12)2-1-3-10-6(8)9/h2-5H,1H3,(H,11,12);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1

Weigh it out

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

Names and synonyms

8 names
  • L-Arginine, 2-(acetyloxy)benzoate (1:1)
  • L-Arginine, mono[2-(acetyloxy)benzoate]
  • Benzoic acid, 2-(acetyloxy)-, compd. with L-arginine (1:1)
  • L-Arginine acetylsalicylate salt (1:1)
  • L-Arginine acetylsalicylate
  • Arginine acetylsalicylate
  • (S)-2-Amino-5-guanidinopentanoic acid compound with 2-acetoxybenzoic acid (1:1)
  • Aspirin arginine

Work with Aspirin arginine 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

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.

Aspirin50-78-2Free acid Arginine74-79-3Free base (±)-Arginine7200-25-1Free base, stereo not defined D-Arginine157-06-2Free base, enantiomer Aspisol62952-06-1Salt L-Arginine L-pyroglutamate56265-06-6Salt L-(+)-Arginine monohydrochloride1119-34-2Salt Arginine glutamate4320-30-3Salt Arginine hydrochloride15595-35-4Salt D-Arginine hydrochloride627-75-8Salt, enantiomer Arginine aspartate7675-83-4Salt Diarginine α-ketoglutarate5256-76-8Salt

Similar compounds

Homoarginine156-86-553 % similar L-Homoarginine hydrochloride1483-01-851 % similar Acetylsalicylsalicylic acid530-75-648 % similar Citrulline372-75-847 % similar Citrulline627-77-047 % similar Benzoyl-L-arginine154-92-745 % similar Nomega-Propyl-L-arginine137361-05-844 % similar Homocitrulline1190-49-443 % similar

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

Elsewhere

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