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144441-86-1 | 2,4(1H,3H)-Pyrimidinedione, chloro- (9CI)
CAS No: 144441-86-1 Catalog No: AG001JK1 MDL No:
Product Description
Catalog Number:
AG001JK1
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, chloro- (9CI)
CAS Number:
144441-86-1
Molecular Formula:
C4H3ClN2O2
Molecular Weight:
146.5318
IUPAC Name:
1-chloropyrimidine-2,4-dione
InChI:
InChI=1S/C4H3ClN2O2/c5-7-2-1-3(8)6-4(7)9/h1-2H,(H,6,8,9)
InChI Key:
STEQWPADCGBGST-UHFFFAOYSA-N
SMILES:
Cln1ccc(=O)[nH]c1=O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.988g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.53g/mol
Monoisotopic Mass:
145.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Pharmacokinetics of orally administered uracil in healthy volunteers and in DPD-deficient patients, a possible tool for screening of DPD deficiency. | Cancer chemotherapy and pharmacology 20111201 |
| A simple and sensitive fully validated HPLC-UV method for the determination of 5-fluorouracil and its metabolite 5,6-dihydrofluorouracil in plasma. | Therapeutic drug monitoring 20050201 |
| Electron attachment to chlorouracil: a comparison between 6-ClU and 5-ClU. | The Journal of chemical physics 20040108 |
| Reduced 5-FU clearance in a patient with low DPD activity due to heterozygosity for a mutant allele of the DPYD gene. | British journal of cancer 20020408 |
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