| SpectraBase Spectrum ID |
2rTV29sk9w |
| Name |
Maropitant |
| Classification |
Antiemetic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
468.314063915 u |
| Formula |
C32H40N2O |
| InChI |
InChI=1S/C32H40N2O/c1-32(2,3)27-15-16-28(35-4)26(21-27)22-33-30-25-17-19-34(20-18-25)31(30)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,21,25,29-31,33H,17-20,22H2,1-4H3/t30-,31+/m0/s1 |
| InChIKey |
OMPCVMLFFSQFIX-IOWSJCHKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
468.685 g/mol |
| SMILES |
c1cc(ccc1)C([C@]1(N2CCC([C@@]1(NCc1cc(ccc1OC)C(C)(C)C)[H])CC2)[H])c1ccccc1 |
| SPLASH |
splash10-0ufr-2955000000-09e7ae825f534d0dc3cc |
| 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_9176 |
