Halcinonid
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| Klinički podaci
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| AHFS/Drugs.com
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Monografija
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| Identifikatori
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| CAS broj
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3093-35-4
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| ATC kod
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D07AD02
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| ChemSpider[1]
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391997
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| UNII
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SI86V6QNEG  Y
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| ChEMBL[2]
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CHEMBL1200845 Y
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| Hemijski podaci
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| Formula
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C24H32ClFO5
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| Mol. masa
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454,959
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| SMILES
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eMolekuli & PubHem
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| InChI |
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InChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19 ,21 ,22 ,23 ,24-/m0/s1
Key: MUQNGPZZQDCDFT-LJSNODIWSA-N Y |
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| Farmakoinformacioni podaci
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| Trudnoća
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?
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| Pravni status
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Halcinonid je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 454,959 Da.
- ↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846. edit
- ↑ Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI:10.1093/nar/gkr777. PMID 21948863. edit
- ↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A 102: 3762-3772. DOI:10.1021/jp980230o.
- ↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488-1493. DOI:10.1021/ci000392t. PMID 11749573.
- ↑ Ertl P., Rohde B., Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714-3717. DOI:10.1021/jm000942e. PMID 11020286.
