| SpectraBase Spectrum ID |
5XvkiMgIHIG |
| Name |
Ambroxol |
| CAS Registry Number |
18683-91-5 |
| Classification |
Pharmaceutical drug, mucolytic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
375.978589207 u |
| Formula |
C13H18Br2N2O |
| InChI |
InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11- |
| InChIKey |
JBDGDEWWOUBZPM-XYPYZODXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
378.108 g/mol |
| Nominal Mass |
376 u |
| Quality |
920 |
| Retention Index |
2578 |
| SMILES |
NC1=C(CN[C@@]2(CC[C@](CC2)(O)[H])[H])C=C(C=C1Br)Br |
| SPLASH |
splash10-03di-3491000000-10247134c657302d15c5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ambroxolo
trans-4-[(2-Amino-3,5-dibromobenzyl)amino]-cyclohexanol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000079 |
