17-Hidroksiprogesteron

17-Hidroksiprogesteron
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	68-96-2^Y
ATC kod	G03DA03 (WHO)
PubChem	CID 6238
ChemSpider	6002^Y
UNII	21807M87J2^Y
ChEBI	CHEBI:17252^Y
ChEMBL	CHEMBL1062^Y
Hemijski podaci
Formula	C₂₁H₃₀O₃
Molarna masa	330,461
SMILES CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@@]12C
InChI InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19-,20-,21-/m1/s1^Y Key:DBPWSSGDRRHUNT-XHCJJCCMSA-N^Y

Fizički podaci
Tačka topljenja	2.195 °C (3.983 °F)

17-Hidroksiprogesteron je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 330,461 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	3,1
Rastvorljivost^[2] (logS, log(mol/L))	-4,8
Polarna površina^[3] (PSA, Å²)	54,4

^ 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.