Sulfaguanidin

Sulfaguanidin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	57-67-0^Y
ATC kod	A07AB03 (WHO)
PubChem	CID 5324
UNII	15XQ8043FN^Y
KEGG	D02437^Y
Hemijski podaci
Formula	C₇H₁₀N₄O₂S
Molarna masa	214,245
SMILES NC(=NS(=O)(=O)c1ccc(N)cc1)N
InChI InChI=1S/C7H10N4O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,8H2,(H4,9,10,11)^Y Key:BRBKOPJOKNSWSG-UHFFFAOYSA-N^Y

Sulfaguanidin je organsko jedinjenje, koje sadrži 7 atoma ugljenika i ima molekulsku masu od 214,245 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	3
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	-0,4
Rastvorljivost^[2] (logS, log(mol/L))	-1,8
Polarna površina^[3] (PSA, Å²)	132,9

^ 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.