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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Nitisinone-13C6

[O-][N+](=O)c1cc(ccc1[13CH]1(=O)[13C](=O)[13CH2][13CH2][13CH2][13C]1=O)C(F)(F)F Request for Quotation
Chemical Name: Nitisinone-13C6
CAS Number: 1246815-63-3
Product Number: AG009F1K(AGN-PC-0WAHPK)
Synonyms:
MDL No:
Molecular Formula: C13H10F3NO5
Molecular Weight: 323.173338628

Identification/Properties

Computed Properties
Molecular Weight:
335.185g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
2
Exact Mass:
335.071g/mol
Monoisotopic Mass:
335.071g/mol
Topological Polar Surface Area:
97A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
524
Isotope Atom Count:
6
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


The isotopically labeled compound Nitisinone-13C6 is a valuable tool in chemical synthesis applications. Its incorporation of six carbon-13 isotopes offers distinct advantages in tracking the fate and transformation of the molecule in complex reaction pathways. By replacing specific carbon atoms with the heavier carbon-13 isotope, researchers can use Nitisinone-13C6 as a tracer to elucidate mechanisms, identify intermediates, and quantify reaction yields with enhanced precision. This labeled compound serves as an essential tool for studying metabolic pathways, drug metabolism, and organic synthesis processes, providing valuable insights into the behavior of compounds in biological and chemical systems.