Ciproteron acetat

Ciproteron acetat
Klinički podaci

Drugs.com	acetate.html Monografija
Identifikatori
CAS broj	427-51-0^Y
ATC kod	G03HA01 (WHO)
PubChem	CID 9880
ChemSpider	9496^Y
UNII	4KM2BN5JHF^Y
ChEBI	CHEBI:50743^Y
ChEMBL	CHEMBL142130^Y
Hemijski podaci
Formula	C₂₄H₂₉ClO₄
Molarna masa	416,938
SMILES CC(=O)O[C@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@@]4(C)[C@H]3CC[C@@]12C)C(=O)C
InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22+,23+,24+/m0/s1^Y Key:UWFYSQMTEOIJJG-NTQHJVQOSA-N^Y

Ciproteron acetat je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 416,938 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	0
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	3,3
Rastvorljivost^[2] (logS, log(mol/L))	-6,1
Polarna površina^[3] (PSA, Å²)	60,4

^ 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.