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2-Bromo-LSD
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj478-84-2 ДаY
ATC kodNone
PubChemCID 10171
ChemSpider9765 ДаY
ChEMBLCHEMBL274384 ДаY
Sinonimi2-bromolysergic acid diethylamide,
BOL-148
Hemijski podaci
FormulaC20H24BrN3O
Molarna masa402,328
  • CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2Cc3c(Br)[nH]c4cccc(C2=C1)c34
  • InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1 ДаY
  • Key:VKRAXSZEDRWLAG-SJKOYZFVSA-N ДаY

2-Bromo-LSD je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 402,328 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 1
Broj rotacionih veza 3
Particioni koeficijent[1] (ALogP) 3,2
Rastvorljivost[2] (logS, log(mol/L)) -4,9
Polarna površina[3] (PSA, Å2) 39,3

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

source: https://sr.wikipedia.org/wiki/2-Bromo-LSD