folfirinox

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 39
Total Number of Articles : 50
PubChem 136171075
Molecular Formula

C65H76FN15O19Pt

SMILES

CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.C1CC[C@@H]([C@H](C1)[NH-])[NH-].C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.C1=C(C(=O)NC(=O)N1)F.C(=O)(C(=O)[O-])[O-].[Pt+4]

InChI

InChI=1S/C33H38N4O6.C20H23N7O7.C6H12N2.C4H3FN2O2.C2H2O4.Pt/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;7-5-3-1-2-4-6(5)8;5-2-1-6-4(9)7-3(2)8;3-1(4)2(5)6;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);5-8H,1-4H2;1H,(H2,6,7,8,9);(H,3,4)(H,5,6);/q;;-2;;;+4/p-2/t33-;12?,13-;5-,6-;;;/m000.../s1

synonyms
  • Folfirinox
  • Folfirinox Regimen
  • Folfirinox Protocol
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Properties
Property Value
MW 1585.5 g/mol
HBD 12
HBA 27
Rotatable Bond Count 14
Exact Mass 1584.507388 g/mol
Monoisotopic Mass 1584.507388 g/mol
Heavy Atom Count 101
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 6
Complexity 2500
xlogp None
Topological Polar Surface Area 469