Mitratapid

Mitratapid
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	179602-65-4^Y
ATCvet kod	QA08AB90 (WHO)
PubChem	CID 213047
UNII	FVW7T75XP4^Y
Sinonimi	Mitratapid; R103757
Hemijski podaci
Formula	C₃₆H₄₁ClN₈O₄S
Molarna masa	717,280
SMILES CC[C@@H](C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@@H]5CO[C@](CSc6nncn6C)(O5)c7ccc(Cl)cc7)cc4
InChI InChI=1S/C36H41ClN8O4S/c1-4-26(2)45-35(46)44(25-39-45)31-11-9-29(10-12-31)42-17-19-43(20-18-42)30-13-15-32(16-14-30)47-21-33-22-48-36(49-33,27-5-7-28(37)8-6-27)23-50-34-40-38-24-41(34)3/h5-16,24-26,33H,4,17-23H2,1-3H3/t26-,33-,36-/m1/s1^Y Key:HQSRVYUCBOCBLY-XOOFNSLWSA-N^Y

Mitratapid je organsko jedinjenje, koje sadrži 36 atoma ugljenika i ima molekulsku masu od 717,280 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	10
Broj donora vodonika	0
Broj rotacionih veza	12
Particioni koeficijent^[1] (ALogP)	6,5
Rastvorljivost^[2] (logS, log(mol/L))	-7,9
Polarna površina^[3] (PSA, Å²)	126,1

^ 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.