Treosulfan

Treosulfan
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	299-75-2^Y
ATC kod	L01AB02 (WHO)
PubChem	CID 9296
UNII	CO61ER3EPI^Y
Sinonimi	1,2,3,4-Butanetetrol, 1,4-dimethanesulfonate, Threitol 1,4-dimethanesulfonate, Threitol 1,4-bismethanesulfonate; L-Threitol 1,4-bis(methanesulfonate); Ovastat; Threosulphan; Treosulphan; Tresulfan
Hemijski podaci
Formula	C₆H₁₄O₈S₂
Molarna masa	278,301
SMILES CS(=O)(=O)OCC(O)C(O)COS(=O)(=O)C
InChI InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3^Y Key:YCPOZVAOBBQLRI-UHFFFAOYSA-N^Y

Treosulfan je organsko jedinjenje, koje sadrži 6 atoma ugljenika i ima molekulsku masu od 278,301 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	8
Broj donora vodonika	2
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	-2,0
Rastvorljivost^[2] (logS, log(mol/L))	-0,7
Polarna površina^[3] (PSA, Å²)	144,0

^ 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.