| SpectraBase Spectrum ID |
ima1FvvILE |
| Name |
Bromhexine-M (nor-HO-) isom.3 2AC |
| Classification |
Expectorant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
459.999718573 u |
| Formula |
C17H22Br2N2O3 |
| InChI |
InChI=1S/C17H22Br2N2O3/c1-10(22)21-17-8-16(19)15(18)7-12(17)9-20-13-3-5-14(6-4-13)24-11(2)23/h7-8,13-14,20H,3-6,9H2,1-2H3,(H,21,22) |
| InChIKey |
KHAIWYOVPYEGKQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
462.182 g/mol |
| SMILES |
c1(CNC2CCC(CC2)OC(=O)C)c(cc(Br)c(Br)c1)NC(=O)C |
| SPLASH |
splash10-001i-9465500000-c46a25e5394ec7b19a75 |
| 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 |
| Synonyms |
Bromhexine-M (nor-HO-) isomer-3 2AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_136 |
