Porfimer natrijum

Porfimer natrijum
Klinički podaci

Drugs.com	sodium.html Monografija
Način primene	Intravenozno
Farmakokinetički podaci
Poluvreme eliminacije	10-452 h

Identifikatori
CAS broj	87806-31-3^Y
ATC kod	L01XD01 (WHO)
PubChem	CID 57166
DrugBank	DB00707^Y
ChemSpider	10482283^Y
ChEBI	CHEBI:60652^Y
ChEMBL	CHEMBL1201707^Y
Hemijski podaci
Formula	C₉₉H₁₁₀N₁₂O₁₃
Molarna masa	1676,005
SMILES [Na+].OC(=O)CC\C2=C(/C)c1cc%10nc(cc4nc(cc3nc(cc2n1)c(CCC(O)=O)c3C)/C(=C4/C)C(C)OC(C)c9c5nc(cc8nc(cc7nc(cc6nc(c5)C(\C)=C6\C(C)O)c(C)c7CCC(O)=O)C(\CCC(O)=O)=C8\C)c9C)c(C(C)O)c%10C
InChI InChI=1S/C99H110N12O13/c1-43-46(4)70-37-88-97(55(13)79(109-88)34-76-51(9)63(21-27-93(116)117)84(106-76)40-82-61(19-25-91(112)113)49(7)73(103-82)31-67(43)100-70)58(16)123-59(17)98-56(14)80-35-77-53(11)65(23-29-95(120)121)86(108-77)42-87-66(54(12)75(105-87)33-69-44(2)47(5)71(101-69)38-89(98)110-80)24-30-96(122)124-60(18)99-57(15)81-36-78-52(10)64(22-28-94(118)119)85(107-78)41-83-62(20-26-92(114)115)50(8)74(104-83)32-68-45(3)48(6)72(102-68)39-90(99)111-81/h31-36,40-42,58-60,70-72,103-105,109-111H,19-30,37-39H2,1-18H3,(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,121)/b73-31-,74-32-,75-33-,76-34-,77-35-,78-36-,82-40-,83-41-,87-42-^Y Key:NYQGMKORVNYSLZ-DZGUDHBZSA-N^Y

Porfimer natrijum je organsko jedinjenje, koje sadrži 96 atoma ugljenika i ima molekulsku masu od 1676,005 Da.^[1]^[2]

Osobine

Osobina	Vrednost
Broj akceptora vodonika	22
Broj donora vodonika	11
Broj rotacionih veza	25
Particioni koeficijent^[3] (ALogP)	12,2
Rastvorljivost^[4] (logS, log(mol/L))	-20,3
Polarna površina^[5] (PSA, Å²)	379,6

^ Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035—41. PMC 3013709 . PMID 21059682. doi:10.1093/nar/gkq1126. уреди
^ David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research. 36 (Database issue): D901—6. PMC 2238889 . PMID 18048412. doi:10.1093/nar/gkm958. уреди
^ 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. уреди
^ 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. уреди

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.