Erdostein

Erdostein
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	84611-23-4^Y
ATC kod	R05CB15 (WHO)
PubChem	CID 65632
ChemSpider	59073^Y
UNII	76J0853EKA^Y
KEGG	D07383^Y
Hemijski podaci
Formula	C₈H₁₁NO₄S₂
Molarna masa	249,307
SMILES OC(=O)CSC\C(=N\C1CCSC1=O)\O
InChI InChI=1S/C8H11NO4S2/c10-6(3-14-4-7(11)12)9-5-1-2-15-8(5)13/h5H,1-4H2,(H,9,10)(H,11,12)^Y Key:QGFORSXNKQLDNO-UHFFFAOYSA-N^Y

Erdostein je organsko jedinjenje, koje sadrži 8 atoma ugljenika i ima molekulsku masu od 249,307 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	2
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	0,3
Rastvorljivost^[2] (logS, log(mol/L))	-1,7
Polarna površina^[3] (PSA, Å²)	137,6

^ 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.