Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:132296 - pseudoephedrine(1+)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
pseudoephedrine(1+)
ChEBI ID
CHEBI:132296
Definition
An organic cation obtained by protonation of the secondary amino function of pseudoephedrine.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C10H16NO
Net Charge
+1
Average Mass
166.241
Monoisotopic Mass
166.12264
InChI
InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10+/m0/s1
InChIKey
KWGRBVOPPLSCSI-WCBMZHEXSA-O
SMILES
C=1C=C(C=CC1)[C@@H]([C@@H]([NH2+]C)C)O
ChEBI Ontology
Outgoing
pseudoephedrine(1+) (
CHEBI:132296
)
is a
ammonium ion derivative (
CHEBI:35274
)
pseudoephedrine(1+) (
CHEBI:132296
)
is a
organic cation (
CHEBI:25697
)
pseudoephedrine(1+) (
CHEBI:132296
)
is conjugate acid of
pseudoephedrine (
CHEBI:51209
)
pseudoephedrine(1+) (
CHEBI:132296
)
is enantiomer of
(1
R
,2
R
)-pseudoephedrine(1+) (
CHEBI:149674
)
Incoming
pseudoephedrine hydrochloride (
CHEBI:8604
)
has part
pseudoephedrine(1+) (
CHEBI:132296
)
pseudoephedrine (
CHEBI:51209
)
is conjugate base of
pseudoephedrine(1+) (
CHEBI:132296
)
(1
R
,2
R
)-pseudoephedrine(1+) (
CHEBI:149674
)
is enantiomer of
pseudoephedrine(1+) (
CHEBI:132296
)
IUPAC Name
(1
S
,2
S
)-1-hydroxy-
N
-methyl-1-phenylpropan-2-aminium
Synonyms
Sources
(1
S
,2
S
)-pseudoephedrine
UniProt
pseudoephedrine cation
ChEBI
Last Modified
07 May 2020