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 |
Delete | Mapping To | Ontology | Source |
---|---|---|---|
http://purl.obolibrary.org/obo/CHEBI_77733 | CHEBI | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_77733 | BERO | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_77733 | DRON | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_77733 | CIDO | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_77733 | PHIPO | SAME_URI | |
http://purl.obolibrary.org/obo/CHEBI_77733 | CHEBI | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_77733 | BERO | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_77733 | DRON | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_77733 | CIDO | LOOM | |
http://purl.obolibrary.org/obo/CHEBI_77733 | PHIPO | LOOM |