Homatropin

Homatropin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	87-00-3^Y
ATC kod	A02BX03 (WHO) S01FA05
PubChem	CID 6321423
DrugBank	DB00725^Y
ChemSpider	16498795^Y
UNII	8QS6WCL55Z^Y
ChEMBL	CHEMBL1233442^Y
Hemijski podaci
Formula	C₁₆H₂₁NO₃
Molarna masa	275,343
SMILES CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3
InChI InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14+,15?^Y Key:ZTVIKZXZYLEVOL-MCOXGKPRSA-N^Y

Homatropin je organsko jedinjenje, koje sadrži 16 atoma ugljenika i ima molekulsku masu od 275,343 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	1,7
Rastvorljivost^[2] (logS, log(mol/L))	-2,4
Polarna površina^[3] (PSA, Å²)	49,8

^ 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.