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Dapaglifozin
SpectraBase Compound ID Lrl54aF3fbM
InChI InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19-,20-,21+/m1/s1
InChIKey JVHXJTBJCFBINQ-ONUIULTDSA-N
Mol Weight 408.88 g/mol
Molecular Formula C21H25ClO6
Exact Mass 408.133966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdqP15a6Ndr
Name Dapaglifozin
CAS Registry Number 461432-26-8
Classification Antidiabetic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 408.133966219 u
Formula C21H25O6Cl
InChI InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19-,20-,21+/m1/s1
InChIKey JVHXJTBJCFBINQ-ONUIULTDSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 408.878 g/mol
SMILES [C@]1([C@@]([C@@]([C@@]([C@](O1)(CO)[H])(O)[H])(O)[H])(O)[H])(c1ccc(c(c1)Cc1ccc(cc1)OCC)Cl)[H]
SPLASH splash10-0pk9-4930000000-52b2ff6db55db0b05759
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.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_10325