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Vestphylline
[CAS# 102367-57-7]

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CAS#: 102367-57-7
Product: Vestphylline
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Identification
Name Vestphylline
Synonyms [1-[(Diisobutylamino)Methyl]-2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Ethyl] Benzoate; Benzoic Acid [1-[(Diisobutylamino)Methyl]-2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Ethyl] Ester; Benzoic Acid [1-[(Diisobutylamino)Methyl]-2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Ethyl] Ester
Molecular Structure CAS#: 102367-57-7, Vestphylline
Molecular Formula C25H35N5O4
Molecular Weight 469.58
CAS Registry Number 102367-57-7
SMILES C2=NC1=C(C(N(C(N1C)=O)C)=O)[N]2CC(CN(CC(C)C)CC(C)C)OC(=O)C3=CC=CC=C3
InChI 1S/C25H35N5O4/c1-17(2)12-29(13-18(3)4)14-20(34-24(32)19-10-8-7-9-11-19)15-30-16-26-22-21(30)23(31)28(6)25(33)27(22)5/h7-11,16-18,20H,12-15H2,1-6H3
InChIKey SQBWCQROZHGTAU-UHFFFAOYSA-N
Properties
Density 1.204g/cm3 (Cal.)
Boiling point 634.156°C at 760 mmHg (Cal.)
Flash point 337.326°C (Cal.)
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List of Reports Available for Vestphylline
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