Manidipin

Manidipin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	89226-50-6^Y
ATC kod	C08CA11 (WHO)
PubChem	CID 4008
ChemSpider	3868^Y
UNII	6O4754US88^Y
Hemijski podaci
Formula	C₃₅H₃₈N₄O₆
Molarna masa	610,699
SMILES COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN3CCN(CC3)C(c4ccccc4)c5ccccc5)C
InChI InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3^Y Key:ANEBWFXPVPTEET-UHFFFAOYSA-N^Y

Manidipin je organsko jedinjenje, koje sadrži 35 atoma ugljenika i ima molekulsku masu od 610,699 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	9
Broj donora vodonika	1
Broj rotacionih veza	12
Particioni koeficijent^[1] (ALogP)	5,1
Rastvorljivost^[2] (logS, log(mol/L))	-7,8
Polarna površina^[3] (PSA, Å²)	116,9

^ 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.