Difference between revisions of "CPD-6321"

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(Created page with "Category:metabolite == Metabolite NN-DIMETHYLANILINE-N-OXIDE == * common-name: ** n,n-dimethylaniline-n-oxide * smiles: ** cn(c)(=o)c1(c=cc=cc=1) * inchi-key: ** lkqudaoam...")
(Created page with "Category:metabolite == Metabolite N-METHYL-RS-TETRAHYDROBENZYLISOQUINOL == * common-name: ** n-methyl-(r,s)-tetrahydrobenzylisoquinoline * smiles: ** c[n+]1(c(c2(c(cc1)=cc...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite NN-DIMETHYLANILINE-N-OXIDE ==
+
== Metabolite N-METHYL-RS-TETRAHYDROBENZYLISOQUINOL ==
 
* common-name:
 
* common-name:
** n,n-dimethylaniline-n-oxide
+
** n-methyl-(r,s)-tetrahydrobenzylisoquinoline
 
* smiles:
 
* smiles:
** cn(c)(=o)c1(c=cc=cc=1)
+
** c[n+]1(c(c2(c(cc1)=cc=cc=2))cc3(c=cc=cc=3))
 
* inchi-key:
 
* inchi-key:
** lkqudaoambkkqw-uhfffaoysa-n
+
** vkrkvllltihdef-uhfffaoysa-o
 
* molecular-weight:
 
* molecular-weight:
** 137.181
+
** 238.352
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[1.14.13.8-RXN]]
+
* [[2.1.1.115-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=n,n-dimethylaniline-n-oxide}}
+
{{#set: common-name=n-methyl-(r,s)-tetrahydrobenzylisoquinoline}}
{{#set: inchi-key=inchikey=lkqudaoambkkqw-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=vkrkvllltihdef-uhfffaoysa-o}}
{{#set: molecular-weight=137.181}}
+
{{#set: molecular-weight=238.352}}

Revision as of 15:26, 5 January 2021

Metabolite N-METHYL-RS-TETRAHYDROBENZYLISOQUINOL

  • common-name:
    • n-methyl-(r,s)-tetrahydrobenzylisoquinoline
  • smiles:
    • c[n+]1(c(c2(c(cc1)=cc=cc=2))cc3(c=cc=cc=3))
  • inchi-key:
    • vkrkvllltihdef-uhfffaoysa-o
  • molecular-weight:
    • 238.352

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality