Pirarubicin : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Pirarubicin

Pirarubicin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	72496-41-4^Y
ATC kod	L01DB08 (WHO)
PubChem	CID 3033521
UNII	D58G680W0G^Y
KEGG	D01885^Y
ChEMBL	CHEMBL40848^Y
Sinonimi	(9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2R)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Hemijski podaci
Formula	C₃₂H₃₇NO₁₂
Molarna masa	627,636
SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(CC(O[C@H]5C[C@H](N)[C@H](O[C@@H]6CCCCO6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
InChI InChI=1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/t14-,17-,19?,21+,22-,31+,32-/m0/s1^Y Key:KMSKQZKKOZQFFG-YHKVCKOMSA-N^Y

Pirarubicin je organsko jedinjenje, koje sadrži 32 atoma ugljenika i ima molekulsku masu od 627,636 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	13
Broj donora vodonika	5
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	1,1
Rastvorljivost^[2] (logS, log(mol/L))	-2,9
Polarna površina^[3] (PSA, Å²)	204,3

^ 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.