| SpectraBase Spectrum ID |
JQb9Rm4OQIz |
| Name |
Ambroxol 3AC (N,N,O) |
| Classification |
Pharmaceutical drug, mucolytic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
502.010283257 u |
| Formula |
C19H24Br2N2O4 |
| InChI |
InChI=1S/C19H24Br2N2O4/c1-11(24)22-19-14(8-15(20)9-18(19)21)10-23(12(2)25)16-4-6-17(7-5-16)27-13(3)26/h8-9,16-17H,4-7,10H2,1-3H3,(H,22,24)/t16-,17- |
| InChIKey |
NEQMXLVZDNXDQT-QAQDUYKDSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
504.219 g/mol |
| Nominal Mass |
502 u |
| Quality |
932 |
| Retention Index |
3469 |
| SMILES |
C1(=C(CN([C@]2(CC[C@@](CC2)(OC(=O)C)[H])[H])C(=O)C)C=C(C=C1Br)Br)NC(=O)C |
| SPLASH |
splash10-0in9-6496400000-4b4d23b9cb04fc25ceae |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Bromhexine-M (Nor,OH) 3AC
4-(acetyl(2-(acetylamino)-3,5-dibromobenzyl)amino)cyclohexyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000083 |
