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Viminol

Viminol
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj21363-18-8 ДаY
ATC kodN02BG05 (WHO)
PubChemCID 65697
ChemSpider59125 ДаY
UNIITPV54G6XBG ДаY
KEGGD07295 ДаY
SinonimiViminol, Dividol
Hemijski podaci
FormulaC21H31ClN2O
Molarna masa362,937
  • CCC(C)N(CC(O)c1cccn1Cc2ccccc2Cl)C(C)CC
  • InChI=1S/C21H31ClN2O/c1-5-16(3)24(17(4)6-2)15-21(25)20-12-9-13-23(20)14-18-10-7-8-11-19(18)22/h7-13,16-17,21,25H,5-6,14-15H2,1-4H3 ДаY
  • Key:ZILPIBYANAFGMS-UHFFFAOYSA-N ДаY

Viminol je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 362,937 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 1
Broj rotacionih veza 9
Particioni koeficijent[1] (ALogP) 5,6
Rastvorljivost[2] (logS, log(mol/L)) -6,1
Polarna površina[3] (PSA, Å2) 28,4

Reference

  1. ^ 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. 
  2. ^ 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. 
  3. ^ 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. 

Literatura

Spoljašnje veze


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