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Pathogen Host Interaction Phenotype Ontology
Last uploaded:
August 29, 2024
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| Preferred Name | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | |
| Synonyms |
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile |
|
| Definitions |
A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_77733 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:52-53-9 KEGG:C07188 LINCS:LSM-1298 KEGG:D02356
|
|
| formula |
C27H38N2O4
|
|
| has_exact_synonym |
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
|
|
| has_obo_namespace |
chebi_ontology
|
|
| id |
CHEBI:77733
|
|
| in_subset | ||
| inchi |
InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
|
|
| inchikey |
SGTNSNPWRIOYBX-UHFFFAOYSA-N
|
|
| label |
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
|
|
| mass |
454.60160
|
|
| monoisotopicmass |
454.28316
|
|
| notation |
CHEBI:77733
|
|
| prefLabel |
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
|
|
| smiles |
COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
|
|
| textual definition |
A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_46774 |
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