| SpectraBase Spectrum ID |
FRpSJ4Ra5my |
| Name |
Cisapride AC |
| Classification |
Cholinergic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
507.193626968 u |
| Formula |
C25H31ClFN3O5 |
| InChI |
InChI=1S/C25H31ClFN3O5/c1-16(31)28-22-14-23(33-2)19(13-20(22)26)25(32)29-21-9-11-30(15-24(21)34-3)10-4-12-35-18-7-5-17(27)6-8-18/h5-8,13-14,21,24H,4,9-12,15H2,1-3H3,(H,28,31)(H,29,32) |
| InChIKey |
KYTNJSVUKWJFLT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
507.990 g/mol |
| SMILES |
c1(C(NC2C(CN(CC2)CCCOc2ccc(cc2)F)OC)=O)c(cc(c(c1)Cl)NC(=O)C)OC |
| SPLASH |
splash10-001i-6791000000-223db5c61f6c44b1a0a6 |
| 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_5608 |
