Tibezonijum jodid

Tibezonijum jodid
Klinički podaci

Drugs.com	iodide.html Monografija
Identifikatori
ATC kod	A01AB15 (WHO)
PubChem	CID 6918582
ChemSpider	5293779^Y
UNII	E9P274AJEW^Y
KEGG	D02712^Y
Hemijski podaci
Formula	C₂₈H₃₂IN₃S₂
Molarna masa	601,608
SMILES [I-].CC[N+](C)(CC)CCSC1=Nc2ccccc2N=C(C1)c3ccc(Sc4ccccc4)cc3
InChI InChI=1S/C28H32N3S2.HI/c1-4-31(3,5-2)19-20-32-28-21-27(29-25-13-9-10-14-26(25)30-28)22-15-17-24(18-16-22)33-23-11-7-6-8-12-23;/h6-18H,4-5,19-21H2,1-3H3;1H/q+1;/p-1^Y Key:YTSPICCNZMNDQT-UHFFFAOYSA-M^Y

Tibezonijum jodid je organsko jedinjenje, koje sadrži 28 atoma ugljenika i ima molekulsku masu od 601,608 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	0
Broj rotacionih veza	9
Particioni koeficijent^[1] (ALogP)	2,5
Rastvorljivost^[2] (logS, log(mol/L))	-10,3
Polarna površina^[3] (PSA, Å²)	124,6

^ 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. PMID 11749573. 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. PMID 11020286. doi:10.1021/jm000942e.

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.