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Domperidone 2TMS
SpectraBase Compound ID 4N2ZuScZJdQ
InChI InChI=1S/C28H40ClN5O2Si2/c1-37(2,3)33-25-11-8-7-10-23(25)31(27(33)35)17-9-16-30-18-14-22(15-19-30)32-24-13-12-21(29)20-26(24)34(28(32)36)38(4,5)6/h7-8,10-13,20,22H,9,14-19H2,1-6H3
InChIKey LIKJLPNUJBDOKC-UHFFFAOYSA-N
Mol Weight 570.3 g/mol
Molecular Formula C28H40ClN5O2Si2
Exact Mass 569.240906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIANJ5hlN7Q
Name Domperidone 2TMS
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 569.240906316 u
Formula C28H40ClN5O2Si2
InChI InChI=1S/C28H40ClN5O2Si2/c1-37(2,3)33-25-11-8-7-10-23(25)31(27(33)35)17-9-16-30-18-14-22(15-19-30)32-24-13-12-21(29)20-26(24)34(28(32)36)38(4,5)6/h7-8,10-13,20,22H,9,14-19H2,1-6H3
InChIKey LIKJLPNUJBDOKC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 570.284 g/mol
Nominal Mass 569 u
Quality 988
Retention Index 4459
SMILES C=12N(C(N(C2=CC=C(C1)Cl)C1CCN(CC1)CCCN1C=2C(N(C1=O)[Si](C)(C)C)=CC=CC2)=O)[Si](C)(C)C
SPLASH splash10-0079-5259040000-751a14b2f613acebe707
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-chloro-1-(1-(3-(2-oxo-3-(trimethylsilyl)-2,3-dihydro-1H-benzimidazol-1-yl)propyl)piperidin-4-yl)-3-\r(trimethylsilyl)-1,3-dihydro-2H-benzimidazol-2-one
Technique GC/MS
Wiley ID DD2024_013991