Hipazin

Hipazin

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	4774-24-7^Y
ATC kod	none
PubChem	CID 5011
IUPHAR/BPS	173
UNII	4WCY05C0SJ^Y
ChEMBL	CHEMBL18772^Y
Hemijski podaci
Formula	C13H15N3
Molarna masa	213,278
SMILES C1CN(CCN1)c2ccc3ccccc3n2
InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2^Y Key:XRXDAJYKGWNHTQ-UHFFFAOYSA-N^Y

Hipazin je organsko jedinjenje, koje sadrži 13 atoma ugljenika i ima molekulsku masu od 213,278 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	1
Particioni koeficijent[1] (ALogP)	2,1
Rastvorljivost[2] (logS, log(mol/L))	-2,6
Polarna površina[3] (PSA, Å^2)	28,2

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

• Quipazine