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(Q72462432)
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English
N-Despropyl ropinirole
chemical compound
1,3-Dihydro-4-[2-(propylamino)ethyl]-2H-indol-2-one
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
218.141913196
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₈N₂O
0 references
canonical SMILES
CCCNCCC1=C2CC(=O)NC2=CC=C1
0 references
Identifiers
InChI
InChI=1S/C13H18N2O/c1-2-7-14-8-6-10-4-3-5-12-11(10)9-13(16)15-12/h3-5,14H,2,6-9H2,1H3,(H,15,16)
0 references
InChIKey
VKDWFHAQOZYATG-UHFFFAOYSA-N
0 references
CAS Registry Number
106916-16-9
0 references
PubChem CID
10398490
1 reference
matched by identifier from
InChIKey
InChIKey
VKDWFHAQOZYATG-UHFFFAOYSA-N
ChEBI ID
172324
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H18N2O/c1-2-7-14-8-6-10-4-3-5-12-11(10)9-13(16)15-12/h3-5,14H,2,6-9H2,1H3,(H,15,16)
UniChem compound ID
24134368
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10439266
1 reference
matched by identifier from
InChIKey
InChIKey
VKDWFHAQOZYATG-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90390088
0 references
Human Metabolome Database ID
HMDB0060625
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VKDWFHAQOZYATG-UHFFFAOYSA-N
UNII
K8562SXK3H
1 reference
matched by identifier from
InChIKey
InChIKey
VKDWFHAQOZYATG-UHFFFAOYSA-N
Probes And Drugs ID
PD150818
0 references
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