Timopentin
Изглед
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Klinički podaci | |
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Drugs.com | Monografija |
Identifikatori | |
ATC kod | L03AX09(WHO) |
PubChem | CID451417 |
ChemSpider | 397640![]() |
UNII | O3Y80ZF13F![]() |
KEGG | D06117![]() |
ChEMBL | CHEMBL156025![]() |
Sinonimi | (3S)-3-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid |
Hemijski podaci | |
Formula | C30H49N9O9 |
Molarna masa | 679,765 |
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Timopentinjeorgansko jedinjenje,koje sadrži 30atomaugljenikai imamolekulsku masuod 679,765Da.
Osobine
[уреди|уреди извор]Osobina | Vrednost |
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Broj akceptora vodonika | 16 |
Broj donora vodonika | 12 |
Broj rotacionih veza | 23 |
Particioni koeficijent[1](ALogP) | -3,9 |
Rastvorljivost[2](logS,log(mol/L)) | -6,1 |
Polarna površina[3](PSA,Å2) | 339,1 |
Reference
[уреди|уреди извор]- ^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.
- ^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.PMID11749573.doi:10.1021/ci000392t.
- ^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.PMID11020286.doi:10.1021/jm000942e.
Literatura
[уреди|уреди извор]- Hardman JG, Limbird LE, Gilman AG (2001).Goodman & Gilman's The Pharmacological Basis of Therapeutics(10. изд.). New York: McGraw-Hill.ISBN0071354697.doi:10.1036/0071422803.
- Thomas L. Lemke; David A. Williams, ур. (2007).Foye's Principles of Medicinal Chemistry(6. изд.). Baltimore: Lippincott Willams & Wilkins.ISBN0781768799.
Spoljašnje veze
[уреди|уреди извор]
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