CHEBI:77498 - 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate

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ChEBI Name 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate
ChEBI ID CHEBI:77498
Definition A carbamate ester that is glycerol in which one of the primary alcohol groups has been converted to its 2-methoxyphenyl ether while the other has been converted to the corresponding carbamate ester.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H15NO5
Net Charge 0
Average Mass 241.24050
Monoisotopic Mass 241.095
InChI InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
InChIKey GNXFOGHNGIVQEH-UHFFFAOYSA-N
SMILES COc1ccccc1OCC(O)COC(N)=O
ChEBI Ontology
Outgoing 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate (CHEBI:77498) is a aromatic ether (CHEBI:35618)
2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate (CHEBI:77498) is a carbamate ester (CHEBI:23003)
2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate (CHEBI:77498) is a secondary alcohol (CHEBI:35681)
Incoming (R)-methocarbamol (CHEBI:77501) is a 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate (CHEBI:77498)
(S)-methocarbamol (CHEBI:77502) is a 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate (CHEBI:77498)
IUPAC Name
2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate
Manual Xref Database
LSM-1453 LINCS
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Last Modified
24 February 2016
General Comment
2014-02-25 This entry is that for material with unspecified stereochemistry. There are separate entries for the racemate (methocarbamol) and for the individual enantiomers [(R)-methocarbamol and (S)-methocarbamol].