Ciprodim

Ciprodim
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj118111-54-9 ДаY
ATC kodnone
PubChemCID 5748293
ChemSpider4677866 ДаY
ChEMBLCHEMBL322796 ДаY
SinonimiCyprodime
Hemijski podaci
FormulaC22H29NO3
Molarna masa355,471
  • COc1cccc2C[C@@H]3N(CC4CC4)CC[C@@]5(CC(=O)CC[C@]35OC)c12
  • InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21+,22-/m0/s1 ДаY
  • Key:INUCRGMCKDQKNA-NNWRFLSQSA-N ДаY

Ciprodim je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 355,471 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 4
Broj donora vodonika 0
Broj rotacionih veza 4
Particioni koeficijent[1] (ALogP) 2,6
Rastvorljivost[2] (logS, log(mol/L)) -4,3
Polarna površina[3] (PSA, Å2) 38,8

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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