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4-[N-(2,4-Diamino-6-pteridinylmethyl)-N-methylamino]benzoic acid hemihydrochloride hydrate

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4-[N-(2,4-Diamino-6-pteridinylmethyl)-N-methylamino]benzoic acid hemihydrochloride hydrate
SpectraBase Compound ID B6nGxv2QTdm
InChI InChI=1S/2C15H15N7O2.Cl.2O/c2*1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13;;;/h2*2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21);;;
InChIKey SCTNZZUDBCNXRL-UHFFFAOYSA-N
Mol Weight 718.115 g/mol
Molecular Formula C30H30ClN14O6
Exact Mass 717.216127 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 3Qlh4oRW9Bu
Name 4-[N-(2,4-Diamino-6-pteridinylmethyl)-N-methylamino]benzoic acid hemihydrochloride hydrate
Source of Sample Aldrich
Catalog Number 861553
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 C15H15N7O2*0.5HCl*xH2O
InChI InChI=1S/2C15H15N7O2.Cl.2O/c2*1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13;;;/h2*2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21);;;
InChIKey SCTNZZUDBCNXRL-UHFFFAOYSA-N
Purity 95%
Synonyms N10-Methyl-4-amino-4-deoxypteroic acid
Wiley ID SIAL_ATR-IR_022188