Uldazepam

Uldazepam
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	28546-58-9^Y
ATC kod	none
PubChem	CID 34274
ChemSpider	31577^Y
UNII	VAE9C0350C^Y
KEGG	D06263^Y
Sinonimi	7-chloro- 5-(2-chlorophenyl)- N-prop-2-enoxy-3H- 1,4-benzodiazepin- 2-amine
Hemijski podaci
Formula	C₁₈H₁₅Cl₂N₃O
Molarna masa	360,237
SMILES Clc1ccc2N=C(CN=C(c3ccccc3Cl)c2c1)NOCC=C
InChI InChI=1S/C18H15Cl2N3O/c1-2-9-24-23-17-11-21-18(13-5-3-4-6-15(13)20)14-10-12(19)7-8-16(14)22-17/h2-8,10H,1,9,11H2,(H,22,23)^Y Key:DTMPGSXFUXZBDK-UHFFFAOYSA-N^Y

Uldazepam je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 360,237 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	1
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	4,4
Rastvorljivost^[2] (logS, log(mol/L))	-6,9
Polarna površina^[3] (PSA, Å²)	46,0

^ 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.