Medroksiprogesteron acetat

Medroksiprogesteron acetat
Klinički podaci


Drugs.com	acetate.html Monografija
Identifikatori
CAS broj	71-58-9^Y
ATC kod	G03AC06 (WHO) G03DA02, L02AB02
PubChem	CID 6279
IUPHAR/BPS	2879
DrugBank	DB00603^Y
ChemSpider	6043^Y
UNII	C2QI4IOI2G^Y
KEGG	C08150^Y
ChEBI	CHEBI:6716^Y
ChEMBL	CHEMBL717^Y
Hemijski podaci
Formula	C₂₄H₃₄O₄
Molarna masa	386,524
SMILES C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(OC(=O)C)C(=O)C)[C@@]4(C)CCC(=O)C=C14
InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1^Y Key:PSGAAPLEWMOORI-PEINSRQWSA-N^Y

Medroksiprogesteron acetat je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 386,524 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	0
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	3,8
Rastvorljivost^[2] (logS, log(mol/L))	-5,8
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.