SpectraBase Spectrum ID |
JFM7crtJYPo |
Name |
Risperidone |
CAS Registry Number |
106266-06-2 |
Classification |
Pharmaceutical drug, antipsychotic |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
410.211804286 u |
Formula |
C23H27FN4O2 |
InChI |
InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 |
InChIKey |
RAPZEAPATHNIPO-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
410.493 g/mol |
Nominal Mass |
410 u |
Quality |
981 |
Retention Index |
3369 |
SMILES |
C=12C(C3CCN(CCC=4C(N5C(=NC4C)CCCC5)=O)CC3)=NOC2=CC(=CC1)F |
SPLASH |
splash10-001i-3290000000-8de6a3a3528a23057630 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
3-[2-[4-(6-Fluorobenzo[d]isoxazol-3-yl)-1-piperidyl]ethyl]-4-methyl-1,5-diazabicyclo[4.4.0]- \rdeca-3,5-dien-2-one |
Technique |
GC/MS |
Wiley ID |
DD2024_014025 |