Noretinodrel : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Noretinodrel

Noretinodrel
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	68-23-5^Y
ATC kod	G03FA09 (WHO)
PubChem	CID 6231
ChemSpider	5995^Y
UNII	88181ACA0M^Y
ChEMBL	CHEMBL1387^Y
Sinonimi	Noretynodrel; (17β)-17-ethynyl-17-hydroxyestr-5(10)-en-3-one
Hemijski podaci
Formula	C₂₀H₂₆O₂
Molarna masa	298,419
SMILES C[C@@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CC[C@]2(O)C#C
InChI InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16-,17-,18+,19-,20-/m1/s1^Y Key:ICTXHFFSOAJUMG-OUUBHVDSSA-N^Y

Noretinodrel je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 298,419 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	1
Broj rotacionih veza	0
Particioni koeficijent^[1] (ALogP)	4,1
Rastvorljivost^[2] (logS, log(mol/L))	-3,4
Polarna površina^[3] (PSA, Å²)	37,3

^ 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.
^ 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.