Jokarminska kiselina
(Preusmjereno sa stranice SMQYOVYWPWASGU-UHFFFAOYSA-N)
Jokarminska kiselina je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 1253,864 Da.
Klinički podaci | |||
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AHFS/Drugs.com | acid.html Monografija | ||
Identifikatori | |||
CAS broj | 10397-75-8 | ||
ATC kod | V08AA08 | ||
PubChem[1][2] | 25229 | ||
UNII | 82PB24K6TZ | ||
KEGG[3] | D01099 | ||
Hemijski podaci | |||
Formula | C24H20I6N4O8 | ||
Mol. masa | 1253,864 | ||
SMILES | eMolekuli & PubHem | ||
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Sinonimi | 3-[[6-[[3-Carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]amino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid | ||
Farmakoinformacioni podaci | |||
Trudnoća | ? | ||
Pravni status |
Osobine uredi
Osobina | Vrednost |
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Broj akceptora vodonika | 8 |
Broj donora vodonika | 6 |
Broj rotacionih veza | 11 |
Particioni koeficijent[4] (ALogP) | 4,0 |
Rastvorljivost[5] (logS, log(mol/L)) | -11,1 |
Polarna površina[6] (PSA, Å2) | 191,0 |
Reference uredi
- ↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519.
- ↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1.
- ↑ Joanne Wixon, Douglas Kell (2000). „Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”. Yeast 17 (1): 48–55. DOI:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H.
- ↑ 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.