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Product Code
TRC-H945928
Product Format
Neat
Molecular Formula
C20H22D3N9O6
Molecular Weight
490.49
Product Categories
TRC, Anticancerous, Stable isotopes, Stable Isotope Labelled Analytical Standards
Product Type
Stable Isotope LabelledAlternate CAS Number
Unlabelled CAS Number
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Analyte Name
7-Hydroxy Methotrexate-d3 Ammonium Salt
Molecular Formula
C20H22D3N9O6
Molecular Weight
490.49
Accurate Mass
490.21
SMILES
NC1=NC(N)=NC2=C1N=C(CN(C([2H])([2H])[2H])C3=CC=C(C(N[C@@H](C(O)=O)CCC(O)=O)=O)C=C3)C(O)=N2.N
InChI
InChI=1S/C20H22N8O6.H3N/c1-28(8-12-18(32)26-16-14(23-12)15(21)25-20(22)27-16)10-4-2-9(3-5-10)17(31)24-11(19(33)34)6-7-13(29)30;/h2-5,11H,6-8H2,1H3,(H,24,31)(H,29,30)(H,33,34)(H5,21,22,25,26,27,32);1H3/t11-;/m1./s1/i1D3;
IUPAC
(4-(((2,4-diamino-7-hydroxypteridin-6-yl)methyl)(methyl-d3)amino)benzoyl)-D-glutamic acid, ammonia salt
Alternate CAS Number
432545-62-5 free acid
Unlabelled CAS Number
Free acid: 5939-37-7
SIL Type
Deuterium
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Stable Isotope Labelled
Product Format
Neat
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