CHEBI:31198 - Ambroxol hydrochloride

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ChEBI Name Ambroxol hydrochloride
ChEBI ID CHEBI:31198
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C13H18Br2N2O.HCl
C13H19Br2ClN2O
Net Charge 0
Average Mass 414.563
Monoisotopic Mass 411.95527
InChI InChI=1S/C13H18Br2N2O.ClH/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;1H/t10?,11-;
InChIKey QNVKOSLOVOTXKF-MLSVDYMTSA-N
SMILES C=1(C=C(CNC2CC[C@@H](CC2)O)C(N)=C(C1)Br)Br.Cl
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Ambroxol hydrochloride (CHEBI:31198) is a aromatic amine (CHEBI:33860)
Synonym Source
Ambroxol hydrochloride KEGG COMPOUND
Manual Xref Database
D01479 KEGG DRUG
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Registry Number Type Source
23828-92-4 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017