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8-(4-Carboxymethyloxy)Phenyl-1,3-Dipropylxanthine
[CAS# 96865-83-7]

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Chemical manufacturer since 2002
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Identification
Name 8-(4-Carboxymethyloxy)Phenyl-1,3-Dipropylxanthine
Synonyms 2-[4-(2,6-Diketo-1,3-Dipropyl-7H-Purin-8-Yl)Phenoxy]Acetic Acid; 2-[4-(2,6-Dioxo-1,3-Dipropyl-7H-Purin-8-Yl)Phenoxy]Ethanoic Acid; Xanthatin, 1,3-Dipropyl-8-[(4-Carboxymethoxy)Phenyl]-
Molecular Structure CAS#: 96865-83-7, 8-(4-Carboxymethyloxy)Phenyl-1,3-Dipropylxanthine
Molecular Formula C19H22N4O5
Molecular Weight 386.41
CAS Registry Number 96865-83-7
SMILES C1=CC(=CC=C1C2=NC3=C([NH]2)C(N(CCC)C(=O)N3CCC)=O)OCC(O)=O
InChI 1S/C19H22N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25)
InChIKey QTMMGCYGCFXBFI-UHFFFAOYSA-N
Properties
Density 1.326g/cm3 (Cal.)
Boiling point 652.969°C at 760 mmHg (Cal.)
Flash point 348.703°C (Cal.)
solubility Soluble to 50 mM in DMSO
Market Analysis Reports
List of Reports Available for 8-(4-Carboxymethyloxy)Phenyl-1,3-Dipropylxanthine
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