Brotizolam : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Brotizolam

Brotizolam
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	57801-81-7^Y
ATC kod	N05CD09 (WHO)
PubChem	CID 2451
DrugBank	?^Y
ChemSpider	2357^Y
UNII	5XZM1R3DKF^Y
KEGG	D01744^Y
ChEMBL	CHEMBL32479^Y
Hemijski podaci
Formula	C₁₅H₁₀BrClN₄S
Molarna masa	393,689
SMILES Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Br)sc4n12
InChI InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3^Y Key:UMSGKTJDUHERQW-UHFFFAOYSA-N^Y

Brotizolam je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 393,689 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	0
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	3,9
Rastvorljivost^[2] (logS, log(mol/L))	-7,0
Polarna površina^[3] (PSA, Å²)	71,3

^ 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.