Product Name: 3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid salt
Molecular Structure:
Molecular Formula: C12H17N3O6
Molecular Weight: 299.2799
Synonyms of 3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid salt (CAS NO.32543-38-7): DL-Carnitine orotate ; Carnitine orotate ; (3-Carboxy-2-hydroxypropyl)trimethylammonium orotate
CAS NO: 32543-38-7
H bond acceptors: 9
H bond donors: 3
Freely Rotating Bonds: 7
Polar Surface Area: 124.63 Å2
SMILES: O=C(OC(CC([O-])=O)C[N+](C)(C)C)C\1=C\C(=O)NC(=O)N/1
InChI: InChI=1/C12H17N3O6/c1-15(2,3)6-7(4-10(17)18)21-11(19)8-5-9(16)14-12(20)13-8/h5,7H,4,6H2,1-3H3,(H2-,13,14,16,17,18,20)
InChIKey: VOTPLFCPIRIALF-UHFFFAOYAG
Std. InChI: InChI=1S/C12H17N3O6/c1-15(2,3)6-7(4-10(17)18)21-11(19)8-5-9(16)14-12(20)13-8/h5,7H,4,6H2,1-3H3,(H2-,13,14,16,17,18,20)
Std. InChIKey: VOTPLFCPIRIALF-UHFFFAOYSA-N
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