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Sacubitrilate -H2O (ME)       @
SpectraBase Compound ID kimBmF6Wdn
InChI InChI=1S/C23H25NO4/c1-16(23(27)28-2)14-20(24-21(25)12-13-22(24)26)15-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,16,20H,12-15H2,1-2H3
InChIKey WUZBELGZKKTQHL-UHFFFAOYSA-N
Mol Weight 379.46 g/mol
Molecular Formula C23H25NO4
Exact Mass 379.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2l32gPvwMa
Name Sacubitrilate -H2O (ME) @
Classification Antihypertensive
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Exact Mass 379.178358285 u
Formula C23H25NO4
InChI InChI=1S/C23H25NO4/c1-16(23(27)28-2)14-20(24-21(25)12-13-22(24)26)15-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,16,20H,12-15H2,1-2H3
InChIKey WUZBELGZKKTQHL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 379.456 g/mol
Related CAS Registry Number(s) 149709-62-6
SMILES c1c(-c2ccc(cc2)CC(N2C(CCC2=O)=O)CC(C(=O)OC)C)cccc1
SPLASH splash10-0f8c-1940000000-092b79b86dda39a387e7
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 Sacubitril-M (Sacubitrilate) -H2O (ME)
Technique GC/MS
Wiley ID MMPW6e_10593