Pipamazin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Pipamazin

Pipamazin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	84-04-8^Y
ATC kod	None
PubChem	CID 6761
ChemSpider	6503^Y
UNII	653552FH1N^Y
KEGG	D02606^Y
ChEMBL	CHEMBL1909072^Y
Hemijski podaci
Formula	C₂₁H₂₄ClN₃OS
Molarna masa	401,953
SMILES OC(=N)C1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1
InChI InChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26)^Y Key:OSJJYEUEJRVVOD-UHFFFAOYSA-N^Y

Pipamazin je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 401,953 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	2
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	4,9
Rastvorljivost^[2] (logS, log(mol/L))	-4,7
Polarna površina^[3] (PSA, Å²)	75,9

^ 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.