L-Carnitine orotate
Properties
- Molecular formula
- C12H19N3O7
- Molar mass
- 317.30 g/mol
- Exact mass
- 317.1223 Da
- logP
- -2.22Crippen estimate
- Polar surface area
- 163.9 Ų
- H-bond donors / acceptors
- 4 / 8
- Rotatable bonds
- 5
- Stereocentres
- Rin SMILES atom order
Identifiers
CAS number
160468-17-7SMILES
C[N+](C)(C)C[C@H](O)CC(=O)[O-].O=C(O)c1cc(O)nc(O)n1InChIKey
MBULCFMSBDQQQT-FYZOBXCZSA-NInChI
InChI=1S/C7H15NO3.C5H4N2O4/c1-8(2,3)5-6(9)4-7(10)11;8-3-1-2(4(9)10)6-5(11)7-3/h6,9H,4-5H2,1-3H3;1H,(H,9,10)(H2,6,7,8,11)/t6-;/m1./s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, (2R)-, 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate (1:1)
- 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, (R)-, salt with 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid (1:1)
- 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, (2R)-, salt with 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid (1:1)
- 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, ion(1-), (R)-3-carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium
- 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, ion(1-), (2R)-3-carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium
Work with L-Carnitine orotate
Similar compounds
(±)-Carnitine461-06-354 % similar
(+)-Carnitine541-14-054 % similar
(-)-Carnitine541-15-154 % similar
Orotic acid65-86-154 % similar
(S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride10017-44-454 % similar
Carnitine chloride461-05-254 % similar
L-(-)-Carnitine hydrochloride6645-46-154 % similar
Orotic acid monohydrate50887-69-951 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds