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L-Amethopterin hydrate
SpectraBase Compound ID KMvIfGaarEM
InChI InChI=1S/C20H22N8O5.H2O/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1H2/t13-;/m0./s1
InChIKey FPJYMUQSRFJSEW-ZOWNYOTGSA-N
Mol Weight 472.46 g/mol
Molecular Formula C20H24N8O6
Exact Mass 472.181881 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID FZLKRUgj5PM
Name L-Amethopterin hydrate
Source of Sample Aldrich
Catalog Number 223948
CAS Registry Number 133073-73-1
Comments MW calculated on anhydrous base
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N8O5*xH2O
InChI InChI=1S/C20H22N8O5.H2O/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1H2/t13-;/m0./s1
InChIKey FPJYMUQSRFJSEW-ZOWNYOTGSA-N
Purity 98%
Synonyms Methotrexate hydrate 4-Amino-10-methylfolic acid hydrate L-4-Amino-N10-methylpteroylglutamic acid hydrate L-Amethopterin hydrate Antifolan hydrate MTX hydrate Methylaminopterin hydrate
Wiley ID SIAL_ATR-IR_011301