4-Metiletkatinon
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Klinički podaci | |||
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AHFS/Drugs.com | Monografija | ||
Identifikatori | |||
CAS broj | 1225617-18-4 | ||
ATC kod | nije dodeljen | ||
Hemijski podaci | |||
Formula | C12H17NO | ||
Mol. masa | 191,269 | ||
SMILES | eMolekuli & PubHem | ||
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Sinonimi | 4-methyl-N-ethylcathinone; 2-ethylamino-1-p-tolylpropan-1-one | ||
Farmakoinformacioni podaci | |||
Trudnoća | ? | ||
Pravni status |
4-Metiletkatinon je organsko jedinjenje, koje sadrži 12 atoma ugljenika i ima molekulsku masu od 191,269 Da.
Osobina | Vrednost |
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Broj akceptora vodonika | 2 |
Broj donora vodonika | 1 |
Broj rotacionih veza | 4 |
Particioni koeficijent[1] (ALogP) | 2,4 |
Rastvorljivost[2] (logS, log(mol/L)) | -3,2 |
Polarna površina[3] (PSA, Å2) | 29,1 |
- ↑ Ghose, A.K., Viswanadhan V.N., and 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.
- ↑ 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. DOI:10.1021/ci000392t. PMID 11749573.
- ↑ 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. DOI:10.1021/jm000942e. PMID 11020286.
- Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7.
- Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9.