Timopentin

Timopentin

Klinički podaci
Drugs.com	Monografija
Identifikatori
ATC kod	L03AX09 (WHO)
PubChem	CID 451417
ChemSpider	397640^Y
UNII	O3Y80ZF13F^Y
KEGG	D06117^Y
ChEMBL	CHEMBL156025^Y
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
SMILES CC(C)[C@H](\N=C(/O)\[C@H](CC(=O)O)\N=C(/O)\[C@H](CCCCN)\N=C(/O)\[C@@H](N)CCCNC(=N)N)\C(=N\[C@@H](Cc1ccc(O)cc1)C(=O)O)\O
InChI InChI=1S/C30H49N9O9/c1-16(2)24(28(46)38-22(29(47)48)14-17-8-10-18(40)11-9-17)39-27(45)21(15-23(41)42)37-26(44)20(7-3-4-12-31)36-25(43)19(32)6-5-13-35-30(33)34/h8-11,16,19-22,24,40H,3-7,12-15,31-32H2,1-2H3,(H,36,43)(H,37,44)(H,38,46)(H,39,45)(H,41,42)(H,47,48)(H4,33,34,35)/t19-,20-,21-,22-,24-/m0/s1^Y Key:PSWFFKRAVBDQEG-YGQNSOCVSA-N^Y

Timopentin je organsko jedinjenje, koje sadrži 30 atoma ugljenika i ima molekulsku masu od 679,765 Da.

Osobine

Osobina	Vrednost
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, Å^2)	339,1

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

• Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803. 
• Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799. 

Spoljašnje veze

• Thymopentin

Molimo Vas, obratite pažnju na važno upozorenje u vezi sa temama iz oblasti medicine (zdravlja).