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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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2cpyknrkdt9
Name L-Amethopterin hydrate
Catalog Number 223948
Brand ALDRICH
CAS Registry Number 133073-73-1
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N8O6
Formula (reported) C20H24N8O6
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_RAMAN_005113