SC-17599

SC-17599
Klinički podaci
Drugs.comMonografija
Identifikatori
ATC kodNone
PubChemCID 10436424
SinonimiSC-17599, 17α-Acetoxy-6-dimethylaminomethyl-21-fluoro-3-ethoxy-pregna-3,5-dien-20-one, [(8R,9S,10R,13S,14S,17R)-6-(dimethylaminomethyl)-3-ethoxy-17-(2-fluoroacetyl)-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Hemijski podaci
FormulaC28H42FNO4
Molarna masa475,636
  • CCOC1=CC2=C(CN(C)C)CC3C(CCC4(C)C3CCC4(OC(=O)C)C(=O)CF)C2(C)CC1
  • InChI=1S/C28H42FNO4/c1-7-33-20-8-11-26(3)22-9-12-27(4)23(10-13-28(27,25(32)16-29)34-18(2)31)21(22)14-19(17-30(5)6)24(26)15-20/h15,21-23H,7-14,16-17H2,1-6H3 ДаY
  • Key:ZPVGJKVIJYUOCI-UHFFFAOYSA-N ДаY

SC-17599 je organsko jedinjenje, koje sadrži 28 atoma ugljenika i ima molekulsku masu od 475,636 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 5
Broj donora vodonika 0
Broj rotacionih veza 8
Particioni koeficijent[1] (ALogP) 4,3
Rastvorljivost[2] (logS, log(mol/L)) -5,9
Polarna površina[3] (PSA, Å2) 55,8

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

SC-17599 на Викимедијиној остави.