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Cinazepam
SpectraBase Compound ID 3VQMwRLESSz
InChI InChI=1S/C19H14BrClN2O5/c20-10-5-6-14-12(9-10)17(11-3-1-2-4-13(11)21)23-19(18(27)22-14)28-16(26)8-7-15(24)25/h1-6,9,19H,7-8H2,(H,22,27)(H,24,25)
InChIKey NQTRBZXDWMDXAQ-UHFFFAOYSA-N
Mol Weight 465.69 g/mol
Molecular Formula C19H14BrClN2O5
Exact Mass 463.977462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItSdbBObIRF
Name Cinazepam
Catalog Number 30208
Lot Number 668679
CAS Registry Number 172986-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.977462254 u
Formula C19H14BrClN2O5
InChI InChI=1S/C19H14BrClN2O5/c20-10-5-6-14-12(9-10)17(11-3-1-2-4-13(11)21)23-19(18(27)22-14)28-16(26)8-7-15(24)25/h1-6,9,19H,7-8H2,(H,22,27)(H,24,25)
InChIKey NQTRBZXDWMDXAQ-UHFFFAOYSA-N
Molecular Weight 465.687 g/mol
Purity >=98%
Quality 1000
SMILES N1C2=CC=C(C=C2C(=NC(OC(CCC(=O)O)=O)C1=O)C1=CC=CC=C1Cl)Br
SPLASH splash10-00bi-4955000000-ca502aa7f77fe7ca1be8
Source of Spectrum CAY-2024-2315-0
Synonyms BD-798 4-((7-bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)oxy)-4-oxobutanoic acid 4-{[7-bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]oxy}-4-oxobutanoic acid
Wiley ID 1890496