| SpectraBase Spectrum ID |
FPkdhlbLIl5 |
| Name |
Promethazine-M (nor-di-HO-) 3AC |
| Classification |
Neuroleptic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
428.140593050 u |
| Formula |
C22H24N2O5S |
| InChI |
InChI=1S/C22H24N2O5S/c1-13(23(5)14(2)25)12-24-17-8-6-7-9-21(17)30-22-11-20(29-16(4)27)19(10-18(22)24)28-15(3)26/h6-11,13H,12H2,1-5H3 |
| InChIKey |
CMLBNUCDPKHVLW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
428.503 g/mol |
| SMILES |
c1ccc2N(CC(C)N(C)C(C)=O)c3c(Sc2c1)cc(OC(C)=O)c(OC(C)=O)c3 |
| SPLASH |
splash10-08i0-5943100000-4b5866ecb4b2bf5d52d4 |
| 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. |
| Sample Preparation Procedure |
Detected: UHYAC |
| 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_3334 |
