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Dietilstilbestrol

С Википедије, слободне енциклопедије
Dietilstilbestrol
Klinički podaci
Prodajno imeAcnestrol, Agostilben, Antigestil, Bio-des
Drugs.comMonografija
Način primeneOralno
Identifikatori
CAS broj56-53-1 ДаY
ATC kodG03CB02 (WHO), L02AA01
PubChemCID 448537
DrugBankDB00255 ДаY
ChemSpider2946 ДаY
KEGGC07620 ДаY
ChEBICHEBI:4531 ДаY
ChEMBLCHEMBL411 ДаY
Hemijski podaci
FormulaC18H20O2
Molarna masa268,350
  • CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
  • InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ ДаY
  • Key:RGLYKWWBQGJZGM-ISLYRVAYSA-N ДаY
Fizički podaci
Tačka topljenja1.705 °C (3.101 °F)

Dietilstilbestrol je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 268,350 Da.[1][2][3][4][5][6][7]

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 2
Broj rotacionih veza 4
Particioni koeficijent[8] (ALogP) 5,1
Rastvorljivost[9] (logS, log(mol/L)) -4,8
Polarna površina[10] (PSA, Å2) 40,5
  1. ^ Leuprolide versus diethylstilbestrol for metastatic prostate cancer. The Leuprolide Study Group. N Engl J Med. 1984 Nov 15;311(20):1281-6. PMID 6436700
  2. ^ DIECKMANN WJ, DAVIS ME, RYNKIEWICZ LM, POTTINGER RE: Does the administration of diethylstilbestrol during pregnancy have therapeutic value? Am J Obstet Gynecol. 1953 Nov;66(5):1062-81. PMID 13104505
  3. ^ Ingle JN, Ahmann DL, Green SJ, Edmonson JH, Bisel HF, Kvols LK, Nichols WC, Creagan ET, Hahn RG, Rubin J, Frytak S: Randomized clinical trial of diethylstilbestrol versus tamoxifen in postmenopausal women with advanced breast cancer. N Engl J Med. 1981 Jan 1;304(1):16-21. PMID 7001242
  4. ^ Kuchera LK: Postcoital contraception with diethylstilbestrol. JAMA. 1971 Oct 25;218(4):562-3. PMID 5171004
  5. ^ Herbst AL, Ulfelder H, Poskanzer DC: Adenocarcinoma of the vagina. Association of maternal stilbestrol therapy with tumor appearance in young women. N Engl J Med. 1971 Apr 15;284(15):878-81. PMID 5549830
  6. ^ 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 3013709Слободан приступ. PMID 21059682. doi:10.1093/nar/gkq1126. 
  7. ^ 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 2238889Слободан приступ. PMID 18048412. doi:10.1093/nar/gkm958. 
  8. ^ 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. 
  9. ^ 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. 
  10. ^ 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. 

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