Lorajmin

Lorajmin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	47562-08-3^Y
ATC kod	C01BA12 (WHO)
ChemSpider	16735878^Y
UNII	F96VX65849^Y
Hemijski podaci
Formula	C₂₂H₂₇ClN₂O₃
Molarna masa	402,914
SMILES CC[C@@H]1[C@@H](O)N2[C@H]3C[C@@]45[C@H](OC(=O)CCl)C3[C@H]1C[C@H]2[C@@H]4N(C)c6ccccc56
InChI InChI=1S/C22H27ClN2O3/c1-3-11-12-8-15-19-22(13-6-4-5-7-14(13)24(19)2)9-16(25(15)21(11)27)18(12)20(22)28-17(26)10-23/h4-7,11-12,15-16,18-21,27H,3,8-10H2,1-2H3/t11-,12-,15-,16-,18?,19-,20+,21+,22-/m0/s1^Y Key:LAHDERDHXJFFJU-XBDOJNCASA-N^Y

Lorajmin je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 402,914 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	1
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	2,8
Rastvorljivost^[2] (logS, log(mol/L))	-2,7
Polarna površina^[3] (PSA, Å²)	53,0

^ 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.