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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:amorolfine
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Accession:CHEBI:599440 term browser browse the term
Definition:A member of the class of morpholines that is cis-2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a racemic 2-methyl-3-[p-(2-methylbutan-2-yl)phenyl]propyl group. An inhibitor of the action of squalene monooxygenase, Delta(14) reductase and D7-D8 isomerase and an antifungal agent, it is used (generally as its hydrochloride salt) for the topical treatment of fungal nail and skin infections.
Synonyms:exact_synonym: (2R,6S)-2,6-dimethyl-4-{2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl}morpholine
 related_synonym: (+-)-cis-2,6-dimethyl-4-(2-methyl-3-(p-tert-pentylphenyl)propyl)morpholine;   Formula=C21H35NO;   InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/t16?,17-,18+;   InChIKey=MQHLMHIZUIDKOO-AYHJJNSGSA-N;   SMILES=CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1;   amorolfina;   amorolfinum;   meso-2,6-dimethyl-4-(2-methyl-3-(p-tert-pentylphenyl)propyl)morpholine;   meso-2,6-dimethyl-4-{2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl}morpholine
 alt_id: CHEBI:31779
 xref: Beilstein:8154195;   CAS:78613-35-1;   Drug_Central:188;   KEGG:D01720;   KEGG:D02923
 xref_mesh: MESH:C038974
 xref: PMID:17620378;   Wikipedia:Amorolfine
 cyclic_relationship: is_conjugate_acid_of CHEBI:86380


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  CHEBI ontology 0
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        NMR chemical shift reference compound 0
          ammonia 0
            organic amino compound 0
              tertiary amino compound 0
                amorolfine 0
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                                    oxazinane 0
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                                        morpholine antifungal agent 0
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                                            amorolfine 0
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