Trofosfamid

Trofosfamid
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	22089-22-1^Y
ATC kod	L01AA07 (WHO)
PubChem	CID 65702
UNII	H64JRU6GJ0^Y
KEGG	D07252^Y
ChEMBL	CHEMBL462019^Y
Hemijski podaci
Formula	C₉H₁₈Cl₃N₂O₂P
Molarna masa	323,584
SMILES ClCCN(CCCl)P1(=O)OCCCN1CCCl
InChI InChI=1S/C9H18Cl3N2O2P/c10-2-6-13-5-1-9-16-17(13,15)14(7-3-11)8-4-12/h1-9H2^Y Key:UMKFEPPTGMDVMI-UHFFFAOYSA-N^Y

Trofosfamid je organsko jedinjenje, koje sadrži 9 atoma ugljenika i ima molekulsku masu od 323,584 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	1,0
Rastvorljivost^[2] (logS, log(mol/L))	-1,7
Polarna površina^[3] (PSA, Å²)	42,6

^ 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.