(±)-Carnitine

C7H15NO3CAS 461-06-3161.20 g/mol

Open in Covalent MOL file
N+OHOO−
AlcoholCarboxylic acidQuaternary ammonium

Properties

Molecular formula
C7H15NO3
Molar mass
161.20 g/mol
Exact mass
161.1052 Da
Melting point
197–198 °C (decomposes)
logP
-1.81Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
461-06-3
SMILES
C[N+](C)(C)CC(O)CC(=O)[O-]
InChIKey
PHIQHXFUZVPYII-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3

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Names and synonyms

21 names · show all
  • 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, inner salt
  • Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, DL-
  • 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, (±)-
  • DL-Carnitine
  • γ-Amino-β-hydroxybutyric acid trimethylbetaine
  • Excitine
  • β-Hydroxy-γ-trimethylaminobutyric acid
  • Novaine
  • γ-Trimethyl-β-hydroxybutyrobetaine
  • Carnitin
  • Novain
  • Carnicor
  • Carnum
  • 3-Hydroxy-4-trimethylammoniobutanoate
  • Miocor
  • Carrier
  • Cardiogen
  • Vitacarn
  • Miotonal
  • (±)-(3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide
  • 3-Hydroxy-4-(trimethylazaniumyl)butanoate

Work with (±)-Carnitine

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.

(-)-Carnitine541-15-1Defined stereoisomer (+)-Carnitine541-14-0Defined stereoisomer Carnitine chloride461-05-2Salt L-(-)-Carnitine hydrochloride6645-46-1Salt, defined stereoisomer Carnitine tartrate36687-82-8Salt, defined stereoisomer (S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride10017-44-4Salt, defined stereoisomer L-Carnitine orotate160468-17-7Salt, defined stereoisomer L-Carnitine acid fumarate90471-79-7Salt, defined stereoisomer

Similar compounds

Acetyl-DL-carnitine14992-62-251 % similar (±)-Acetylcarnitine chloride2504-11-248 % similar Acetyl L-carnitine hydrochloride5080-50-248 % similar Trimethylglycine107-43-747 % similar (2-Hydroxytrimethylene)bis[trimethylammonium iodide]123-47-747 % similar Dromos119793-66-744 % similar Sodium 3-hydroxybutyrate150-83-443 % similar Sodium 3-hydroxybutyrate306-31-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

O-(1,1-Dimethylethyl)-D-serine18783-53-4 O-(1,1-Dimethylethyl)-L-serine18822-58-7 tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-2 Rel-(5R,6S)-6-Amino-2,2-dimethyl-1,3-dioxepan-5-ol79944-37-9

Elsewhere

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