Remimazolam : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Remimazolam

Remimazolam
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	308242-62-8^Y
ATC kod	None
PubChem	CID 9824461
UNII	7V4A8U16MB^Y
Hemijski podaci
Formula	C₂₁H₁₉BrN₄O₂
Molarna masa	439,305
SMILES COC(=O)CCC1N=C(c2ccccn2)c3cc(Br)ccc3n4c(C)cnc14
InChI InChI=1S/C21H19BrN4O2/c1-13-12-24-21-17(7-9-19(27)28-2)25-20(16-5-3-4-10-23-16)15-11-14(22)6-8-18(15)26(13)21/h3-6,8,10-12,17H,7,9H2,1-2H3^Y Key:CYHWMBVXXDIZNZ-UHFFFAOYSA-N^Y

Remimazolam je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 439,305 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	0
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	3,7
Rastvorljivost^[2] (logS, log(mol/L))	-7,0
Polarna površina^[3] (PSA, Å²)	69,4

^ 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.