Klofenciklan

Klofenciklan
IUPAC ime
	2-[1-(4-clorofenil)cikloheksil]oksi-N,N-dietiletanamin
Klinički podaci
Način primene	Oralno
Identifikatori
CAS broj	5632-52-0
ATC kod	none
PubChem	CID 25904
ChemSpider	24135
UNII	P4BVX0D2MX
ChEMBL	CHEMBL2106084
Hemijski podaci
Formula	C18H28ClNO
Molarna masa	309.874
	SMILES ClC1=CC=C(C2(CCCCC2)OCCN(CC)CC)C=C1; ;
	InChI InChI=1S/C18H28ClNO/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15H2,1-2H3 ; Key:FFCARBNHUSWRGK-UHFFFAOYSA-N ;

Klofenciklan (Chlorphencyclan; Tonquil, Vesitan) je agens oslobađanja dopamina koji je razvilo preduzeće Boehringer & Soehne tokom 1950-ih.^[1] Pokazao se nepopularnim kao tretman zbog svoje izražene stimulativne aktivnosti.^[2]

Osobine

Klofenciklan je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 309,874 Da.

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	7
Particioni koeficijent^[3] (ALogP)	4,8
Rastvorljivost^[4] (logS, log(mol/L))	-5,8
Polarna površina^[5] (PSA, Å²)	12,5

Reference

^ U.S. Patent 3.254.083
^ Poeldinger W (јануар 1962). „[Therapeutic experiences with thiopropazate and with a combination of thiopropazate and chlorphencyclan (Vesitan) in psychiatry]”. Praxis (на језику: немачки). 51: 73—8. PMID 14487367.
^ 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.

Literatura

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.

Spoljašnje veze

Clofenciclan

[1] U.S. Patent 3.254.083

[pmid14487367-2] Poeldinger W (јануар 1962). „[Therapeutic experiences with thiopropazate and with a combination of thiopropazate and chlorphencyclan (Vesitan) in psychiatry]”. Praxis (на језику: немачки). 51: 73—8. PMID 14487367.

[3] 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.

[4] 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.

[5] 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.

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