| SpectraBase Spectrum ID |
DmpHzCZ2uiO |
| Name |
Metamizole-M/A (-CH2-SO3H) |
| CAS Registry Number |
519-98-2 |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
217.121512114 u |
| Formula |
C12H15N3O |
| InChI |
InChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3 |
| InChIKey |
JILCEWWZTBBOFS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
217.272 g/mol |
| Nominal Mass |
217 u |
| Quality |
996 |
| Retention Index |
1984 |
| SMILES |
C1(N(N(C(=C1NC)C)C)C=1C=CC=CC1)=O |
| SPLASH |
splash10-0a4i-9010000000-f13fbaddbe529977b8d6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3H-Pyrazol-3-one,1,2-dihydro-1,5-dimethyl-4-(methylamino)-2-phenyl-
4MMA
Noramidopyrine
1,2-Dihydro-1,5-dimethyl-4-(methylamino)-2-phenyl-3H-pyrazol-3-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033364 |
