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Pentoxifyllin-M (2OH) 2AC I
SpectraBase Compound ID MGG79dmbpw
InChI InChI=1S/C17H24N4O6/c1-10(26-11(2)22)13(27-12(3)23)7-6-8-21-16(24)14-15(18-9-19(14)4)20(5)17(21)25/h9-10,13H,6-8H2,1-5H3
InChIKey OFHHBOHEWYSROT-UHFFFAOYSA-N
Mol Weight 380.4 g/mol
Molecular Formula C17H24N4O6
Exact Mass 380.169585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91ajWQfGfkN
Name Pentoxifylline-M 2AC @
Classification Vasodilator
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Exact Mass 380.169584503 u
Formula C17H24N4O6
InChI InChI=1S/C17H24N4O6/c1-10(26-11(2)22)13(27-12(3)23)7-6-8-21-16(24)14-15(18-9-19(14)4)20(5)17(21)25/h9-10,13H,6-8H2,1-5H3
InChIKey OFHHBOHEWYSROT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 380.401 g/mol
SMILES C[n]1cnc2N(C(=O)N(CCCC(C(OC(=O)C)C)OC(=O)C)C(c12)=O)C
SPLASH splash10-001i-5930000000-fad36f329fdfa16f6d8a
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Pentifylline-M (di-HO-) isomer-1 2AC Pentoxifylline-M (dihydro-HO-) 2AC
Technique GC/MS
Wiley ID MMPW6e_1215