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Triflupromazin

Triflupromazin
Klinički podaci
Prodajno imeAdazine, Fluopromazine, Psyquil, Siquil
Drugs.comMonografija
Identifikatori
CAS broj146-54-3 ДаY
ATC kodN05AA05 (WHO)
PubChemCID 5568
IUPHAR/BPS4330
DrugBankDB00508 ДаY
ChemSpider5367 ДаY
ChEBICHEBI:9711 ДаY
ChEMBLCHEMBL570 ДаY
Hemijski podaci
FormulaC18H19F3N2S
Molarna masa352,417
  • CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F
  • InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3 ДаY
  • Key:XSCGXQMFQXDFCW-UHFFFAOYSA-N ДаY

Triflupromazin je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 352,417 Da.[1][2]

Osobine

Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 0
Broj rotacionih veza 5
Particioni koeficijent[3] (ALogP) 5,0
Rastvorljivost[4] (logS, log(mol/L)) -5,4
Polarna površina[5] (PSA, Å2) 31,8

Reference

  1. ^ 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 Слободан приступ. PMID 21059682. doi:10.1093/nar/gkq1126. 
  2. ^ 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 Слободан приступ. PMID 18048412. doi:10.1093/nar/gkm958. 
  3. ^ 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. 
  4. ^ 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. 
  5. ^ 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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