Hloralodol je organsko jedinjenje, koje sadrži 8 atoma ugljenika i ima molekulsku masu od 265,562 Da.[1][2][3]

Hloralodol
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj3563-58-4 ДаY
ATC kodN05CC02 (WHO)
PubChemCID 19094
DrugBankDB01534 ДаY
ChemSpider18027 ДаY
Hemijski podaci
FormulaC8H15Cl3O3
Molarna masa265,562
  • CC(CC(C)(C)O)OC(O)C(Cl)(Cl)Cl
  • InChI=1S/C8H15Cl3O3/c1-5(4-7(2,3)13)14-6(12)8(9,10)11/h5-6,12-13H,4H2,1-3H3 ДаY
  • Key:QVFWZNCVPCJQOP-UHFFFAOYSA-N ДаY
Fizički podaci
Tačka topljenja103 °C (217 °F)
Tačka ključanja3.047 °C (5.517 °F)
Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 2
Broj rotacionih veza 5
Particioni koeficijent[4] (ALogP) 1,8
Rastvorljivost[5] (logS, log(mol/L)) -3,5
Polarna površina[6] (PSA, Å2) 49,7

Reference

уреди
  1. ^ Condouris, George A., and Desmond D. Bonnycastle. A pharmacological investigation of the hypnotic action of a new derivative of chloral hydrate, chlorhexadol. The American Journal of the Medical Sciences 242.5 (1961): 574-578.
  2. ^ Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035—41. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126.  уреди
  3. ^ David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research. 36 (Database issue): D901—6. PMC 2238889 . PMID 18048412. doi:10.1093/nar/gkm958.  уреди
  4. ^ Ghose, A.K.; Viswanadhan V.N. & 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. 
  5. ^ 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. PMID 11749573. doi:10.1021/ci000392t.  уреди
  6. ^ 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. PMID 11020286. doi:10.1021/jm000942e.  уреди

Literatura

уреди

Spoljašnje veze

уреди


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