CHEBI:178585 - Norcocaine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Norcocaine
ChEBI ID CHEBI:178585
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H19NO4
Net Charge 0
Average Mass 289.331
Monoisotopic Mass 289.13141
InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1
InChIKey AYDBLCSLKNTEJL-RFQIPJPRSA-N
SMILES O([C@@H]1[C@@H]([C@@]2(N[C@@](CC2)(C1)[H])[H])C(OC)=O)C(=O)C3=CC=CC=C3
ChEBI Ontology
Outgoing Norcocaine (CHEBI:178585) is a benzoate ester (CHEBI:36054)
IUPAC Name
methyl (1R,2R,3S,5S)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate
Manual Xref Database
559083 ChemSpider
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Registry Number Type Source
18717-72-1 CAS Registry Number ChemIDplus