Jokarminska kiselina

Jokarminska kiselina je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 1253,864 Da.

Jokarminska kiselina
Klinički podaci

Drugs.com	acid.html Monografija
Identifikatori
CAS broj	10397-75-8^Y
ATC kod	V08AA08 (WHO)
PubChem	CID 25229
UNII	82PB24K6TZ^Y
KEGG	D01099^Y
Sinonimi	3-[[6-[[3-Carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]amino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Hemijski podaci
Formula	C₂₄H₂₀I₆N₄O₈
Molarna masa	1253,864
SMILES CNC(=O)c1c(I)c(NC(=O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NC)c2I)c(I)c(C(=O)O)c1I
InChI InChI=1S/C24H20I6N4O8/c1-31-21(37)9-13(25)11(23(39)40)17(29)19(15(9)27)33-7(35)5-3-4-6-8(36)34-20-16(28)10(22(38)32-2)14(26)12(18(20)30)24(41)42/h3-6H2,1-2H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)(H,39,40)(H,41,42)^Y Key:SMQYOVYWPWASGU-UHFFFAOYSA-N^Y

Osobine

Osobina	Vrednost
Broj akceptora vodonika	8
Broj donora vodonika	6
Broj rotacionih veza	11
Particioni koeficijent^[1] (ALogP)	4,0
Rastvorljivost^[2] (logS, log(mol/L))	-11,1
Polarna površina^[3] (PSA, Å²)	191,0

Reference

^ 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.

Literatura

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.

Spoljašnje veze

Iocarmic acid

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