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1476-52-4 | 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1-ethyl-
CAS No: 1476-52-4 Catalog No: AG001F0N MDL No:
Product Description
Catalog Number:
AG001F0N
Chemical Name:
1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1-ethyl-
CAS Number:
1476-52-4
Molecular Formula:
C16H22ClN3
Molecular Weight:
291.8190
IUPAC Name:
4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine
InChI:
InChI=1S/C16H22ClN3/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20)
InChI Key:
MCYUUUTUAAGOOT-UHFFFAOYSA-N
SMILES:
CCNCCCC(Nc1ccnc2c1ccc(c2)Cl)C
NSC Number:
13254
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.15g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.823g/mol
Monoisotopic Mass:
291.15g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| HPLC with ultraviolet detection for the determination of chloroquine and desethylchloroquine in whole blood and finger-prick capillary blood dried on filter paper. | Journal of pharmaceutical and biomedical analysis 20110715 |
| Relationship between blood hydroxychloroquine and desethylchloroquine concentrations and cigarette smoking in treated patients with connective tissue diseases. | Annals of the rheumatic diseases 20071101 |
| Stereoselective determination of hydroxychloro-quine and its major metabolites in human urine by solid-phase microextraction and HPLC. | Journal of separation science 20071001 |
| Simultaneous determination of monodesethylchloroquine, chloroquine, cycloguanil and proguanil on dried blood spots by reverse-phase liquid chromatography. | Journal of pharmaceutical and biomedical analysis 20070219 |
| An improved high-performance liquid chromatographic determination of chloroquine and its major metabolite, desethylchloroquine, in human plasma. | European journal of drug metabolism and pharmacokinetics 20060101 |
| In vitro metabolism of chloroquine: identification of CYP2C8, CYP3A4, and CYP2D6 as the main isoforms catalyzing N-desethylchloroquine formation. | Drug metabolism and disposition: the biological fate of chemicals 20030601 |
| Comparison of the in-vitro activity of amodiaquine and its main metabolite, monodesethyl-amodiaquine, in Plasmodium falciparum. | Wiener klinische Wochenschrift 20030101 |
| Hydroxychloroquine concentration-response relationships in patients with rheumatoid arthritis. | Arthritis and rheumatism 20020601 |
| Application of higher throughput screening (HTS) inhibition assays to evaluate the interaction of antiparasitic drugs with cytochrome P450s. | Drug metabolism and disposition: the biological fate of chemicals 20010101 |
| Chloroquine treatment of severe malaria in children. Pharmacokinetics, toxicity, and new dosage recommendations. | The New England journal of medicine 19881208 |
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