Amrubicin

Amrubicin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	110267-81-7^Y
ATC kod	L01DB10 (WHO)
PubChem	CID 178149
ChemSpider	2299344^Y
UNII	93N13LB4Z2^Y
KEGG	D08854^Y
ChEMBL	CHEMBL1186894^Y
Hemijski podaci
Formula	C₂₅H₂₅NO₉
Molarna masa	483,467
SMILES CC(=O)[C@]1(N)C[C@H](O[C@H]2C[C@H](O)[C@H](O)CO2)c3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c3C1
InChI InChI=1S/C25H25NO9/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3/t14-,15+,16-,17-,25+/m0/s1^Y Key:VJZITPJGSQKZMX-SMZJJJPCSA-N^Y

Amrubicin je organsko jedinjenje, koje sadrži 25 atoma ugljenika i ima molekulsku masu od 483,467 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	10
Broj donora vodonika	5
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	0,3
Rastvorljivost^[2] (logS, log(mol/L))	-2,4
Polarna površina^[3] (PSA, Å²)	176,6

^ 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.