3-Benzhidrilmorfolin
(Preusmjereno sa stranice OVLYYUBKZWEOEQ-UHFFFAOYSA-N)
3-Benzhidrilmorfolin je organsko jedinjenje, koje sadrži 17 atoma ugljenika i ima molekulsku masu od 253,339 Da.
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| Klinički podaci | |||
|---|---|---|---|
| AHFS/Drugs.com | Monografija | ||
| Identifikatori | |||
| CAS broj | 93406-27-0 | ||
| ATC kod | nije dodeljen | ||
| ChemSpider[1] | 27289065 | ||
| Hemijski podaci | |||
| Formula | C17H19NO | ||
| Mol. masa | 253,339 | ||
| SMILES | eMolekuli & PubHem | ||
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| Farmakoinformacioni podaci | |||
| Trudnoća | ? | ||
| Pravni status | |||
Osobine
uredi| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 2 |
| Broj donora vodonika | 1 |
| Broj rotacionih veza | 3 |
| Particioni koeficijent[2] (ALogP) | 2,8 |
| Rastvorljivost[3] (logS, log(mol/L)) | -4,5 |
| Polarna površina[4] (PSA, Å2) | 21,3 |
Reference
uredi- ↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”. J Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846.
- ↑ 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.
Literatura
uredi- 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.
