The Drug Ontology

Last uploaded: March 3, 2024
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Preferred Name

9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
Synonyms

9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one

1,2,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one

2-oxo-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzoquinolizine

2-oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzo[a]quinolizine
Definitions

A benzoquinolizine that is 1,2,3,4,4a,9,10,10a-octahydrophenanthrene in which the carbon at position 10a is replaced by a nitrogen and which is substituted by an isobutyl group at position 2, an oxo group at position 3, and methoxy groups at positions 6 and 7.
ID

http://purl.obolibrary.org/obo/CHEBI_64028
charge

0
database_cross_reference

KEGG:C11168

Reaxys:309381

LINCS:LSM-36891

KEGG:D08575

CAS:58-46-8
definition

A benzoquinolizine that is 1,2,3,4,4a,9,10,10a-octahydrophenanthrene in which the carbon at position 10a is replaced by a nitrogen and which is substituted by an isobutyl group at position 2, an oxo group at position 3, and methoxy groups at positions 6 and 7.
formula

C19H27NO3
has_exact_synonym

9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
has_obo_namespace

chebi_ontology
has_related_synonym

1,2,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one

2-oxo-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzoquinolizine

2-oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzo[a]quinolizine
id

CHEBI:64028
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
inchi

InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
inchikey

MKJIEFSOBYUXJB-UHFFFAOYSA-N
label

9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
mass

317.42260
monoisotopicmass

317.19909
notation

CHEBI:64028
prefLabel

9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
smiles

COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
subClassOf

http://purl.obolibrary.org/obo/CHEBI_64027

http://purl.obolibrary.org/obo/CHEBI_3992

http://purl.obolibrary.org/obo/CHEBI_50996
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