Zukapsaicin

Zukapsaicin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	25775-90-0^Y
ATC kod	M02AB02 (WHO)
PubChem	CID 1548942
ChemSpider	1265956^Y
UNII	15OX67P384^Y
Sinonimi	Civamide; (Z)-Capsaicin; cis-Capsaicin
Hemijski podaci
Formula	C₁₈H₂₇NO₃
Molarna masa	305,412
SMILES COc1cc(C\N=C(/O)\CCCC\C=C/C(C)C)ccc1O
InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6-^Y Key:YKPUWZUDDOIDPM-VURMDHGXSA-N^Y

Zukapsaicin je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 305,412 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	2
Broj rotacionih veza	9
Particioni koeficijent^[1] (ALogP)	4,6
Rastvorljivost^[2] (logS, log(mol/L))	-5,3
Polarna površina^[3] (PSA, Å²)	62,0

^ 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.