| SpectraBase Spectrum ID |
11bdvUmIN0y |
| Name |
Pentifylline-M isomer-2 2AC |
| Classification |
Vasodilator |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
380.169584503 u |
| Formula |
C17H24N4O6 |
| InChI |
InChI=1S/C17H24N4O6/c1-6-12(26-10(2)22)7-13(27-11(3)23)8-21-16(24)14-15(18-9-19(14)4)20(5)17(21)25/h9,12-13H,6-8H2,1-5H3 |
| InChIKey |
YGCJSVLDPCSPFL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
380.401 g/mol |
| SMILES |
c12C(N(CC(CC(CC)OC(C)=O)OC(C)=O)C(N(c1nc[n]2C)C)=O)=O |
| SPLASH |
splash10-001i-3920000000-f3b310950d373921c596 |
| 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-2 2AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1928 |
