Tonzilamin

Tonzilamin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	91-85-0^Y
ATC kod	D04AA01 (WHO) R01AC06 R06AC06
PubChem	CID 5457
ChemSpider	5258^Y
UNII	R79646H5Z8^Y
KEGG	D08587^Y
ChEMBL	CHEMBL1623738^Y
Sinonimi	Neohetramine
Hemijski podaci
Formula	C₁₆H₂₂N₄O
Molarna masa	286,372
SMILES COc1ccc(CN(CCN(C)C)c2ncccn2)cc1
InChI InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3^Y Key:GULNIHOSWFYMRN-UHFFFAOYSA-N^Y

Tonzilamin je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 286,372 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	0
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	2,4
Rastvorljivost^[2] (logS, log(mol/L))	-2,8
Polarna površina^[3] (PSA, Å²)	41,5

^ 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.