Methotrexate gamma-Methyl Ester
Product Code
TRC-M260705
CAS Number
Product Format
Neat
Molecular Formula
C21 H24 N8 O5
Molecular Weight
468.47
Product Categories
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
Methotrexate 5-Methyl Ester
CAS Number
67022-39-3
Molecular Formula
C21 H24 N8 O5
Molecular Weight
468.47
Accurate Mass
468.187
SMILES
COC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)O
InChI
InChI=1S/C21H24N8O5/c1-29(10-12-9-24-18-16(25-12)17(22)27-21(23)28-18)13-5-3-11(4-6-13)19(31)26-14(20(32)33)7-8-15(30)34-2/h3-6,9,14H,7-8,10H2,1-2H3,(H,26,31)(H,32,33)(H4,22,23,24,27,28)/t14-/m0/s1
IUPAC
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-methoxy-5-oxopentanoic acid
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)