SpectraBase Spectrum ID |
JGDT1pQrfbE |
Name |
Remoxipride |
CAS Registry Number |
80125-14-0 |
Classification |
Pharmaceutical drug, antipsychotic |
Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
370.089205606 u |
Formula |
C16H23BrN2O3 |
InChI |
InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1 |
InChIKey |
GUJRSXAPGDDABA-NSHDSACASA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
371.275 g/mol |
Nominal Mass |
370 u |
Quality |
997 |
Retention Index |
2473 |
SMILES |
C=1(C(=C(C=CC1OC)Br)OC)C(NC[C@]1(N(CCC1)CC)[H])=O |
SPLASH |
splash10-0002-9000000000-249e24a96b803806dc2e |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Romoxipride
Roxiam
3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide |
Technique |
GC/MS |
Wiley ID |
DD2024_010451 |