Fluoromethotrexate
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Product Description
Product
Fluoromethotrexate
CAS
95755-20-7
Formula
C20H21FN8O5
Typical Product Specifications
Molecular weight
472.44
SMILES
n1c(c2nc(cnc2nc1N)CN(c1ccc(cc1)C(N[C@@H](C[C@@H](C(=O)O)F)C(O)=O)=O)C)N
InChI
FPCVFWSJHMLPDB-UHFFFAOYSA-N
InChIKey
1S/C20H21FN8O5/c1-29(8-10-7-24-16-14(25-10)15(22)27-20(23)28-16)11-4-2-9(3-5-11)17(30)26-13(19(33)34)6-12(21)18(31)32/h2-5,7,12-13H,6,8H2,1H3,(H,26,30)(H,31,32)(H,33,34)(H4,22,23,24,27,28)
Class
Fluoromethotrexate
Product Description
Product
Fluoromethotrexate
CAS
95755-20-7
Formula
C20H21FN8O5
Typical Product Specifications
Molecular weight
472.44
SMILES
n1c(c2nc(cnc2nc1N)CN(c1ccc(cc1)C(N[C@@H](C[C@@H](C(=O)O)F)C(O)=O)=O)C)N
InChI
FPCVFWSJHMLPDB-UHFFFAOYSA-N
InChIKey
1S/C20H21FN8O5/c1-29(8-10-7-24-16-14(25-10)15(22)27-20(23)28-16)11-4-2-9(3-5-11)17(30)26-13(19(33)34)6-12(21)18(31)32/h2-5,7,12-13H,6,8H2,1H3,(H,26,30)(H,31,32)(H,33,34)(H4,22,23,24,27,28)
Class
