| SpectraBase Spectrum ID |
4JmO6BMe8oE |
| Name |
Atracurium-M/artifact iso-2 @ |
| Classification |
Muscle relaxant
Antispasmotic |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
399.168187523 u |
| Formula |
C22H25NO6 |
| InChI |
InChI=1S/C22H25NO6/c1-13(24)23-8-7-16-11-19(26)21(29-14(2)25)12-17(16)18(23)9-15-5-6-20(27-3)22(10-15)28-4/h5-6,10-12,18,26H,7-9H2,1-4H3 |
| InChIKey |
MIGDAJASQSJEGY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
399.443 g/mol |
| SMILES |
c1(O)c(cc2C(Cc3ccc(c(c3)OC)OC)N(C(C)=O)CCc2c1)OC(=O)C |
| SPLASH |
splash10-0udj-0955000000-b4fae3cfbd99a1e4b059 |
| 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 |
| Synonyms |
Atracurium-M (tri-demethyl-)/artifact isomer-2 2AC
Laudanosine-M (tri-demethyl-) isomer-2 2AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6790 |
