| SpectraBase Spectrum ID |
CU5eJZ5RXtu |
| Name |
Promethazine-M (di-HO-) 2AC |
| Classification |
Neuroleptic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
400.145678431 u |
| Formula |
C21H24N2O4S |
| InChI |
InChI=1S/C21H24N2O4S/c1-13(22(4)5)12-23-16-8-6-7-9-20(16)28-21-11-19(27-15(3)25)18(10-17(21)23)26-14(2)24/h6-11,13H,12H2,1-5H3 |
| InChIKey |
TZVHBHWHHLYJIA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
400.493 g/mol |
| SMILES |
c1ccc2N(CC(N(C)C)C)c3c(cc(OC(C)=O)c(OC(C)=O)c3)Sc2c1 |
| SPLASH |
splash10-00di-9121000000-551391d93d8fd4fcaae1 |
| 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: U+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_2621 |
