Viminol

Viminol
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	21363-18-8^Y
ATC kod	N02BG05 (WHO)
PubChem	CID 65697
ChemSpider	59125^Y
UNII	TPV54G6XBG^Y
KEGG	D07295^Y
Sinonimi	Viminol, Dividol
Hemijski podaci
Formula	C₂₁H₃₁ClN₂O
Molarna masa	362,937
SMILES CCC(C)N(CC(O)c1cccn1Cc2ccccc2Cl)C(C)CC
InChI InChI=1S/C21H31ClN2O/c1-5-16(3)24(17(4)6-2)15-21(25)20-12-9-13-23(20)14-18-10-7-8-11-19(18)22/h7-13,16-17,21,25H,5-6,14-15H2,1-4H3^Y Key:ZILPIBYANAFGMS-UHFFFAOYSA-N^Y

Viminol je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 362,937 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	9
Particioni koeficijent^[1] (ALogP)	5,6
Rastvorljivost^[2] (logS, log(mol/L))	-6,1
Polarna površina^[3] (PSA, Å²)	28,4

^ 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.