CHEBI:228679 - NVP-231

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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 NVP-231
ChEBI ID CHEBI:228679
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H25N3O2S
Net Charge 0
Average Mass 431.550
Monoisotopic Mass 431.16675
InChI InChI=1S/C25H25N3O2S/c29-22(18-4-2-1-3-5-18)28-24-27-20-7-6-19(11-21(20)31-24)26-23(30)25-12-15-8-16(13-25)10-17(9-15)14-25/h1-7,11,15-17H,8-10,12-14H2,(H,26,30)(H,27,28,29)
InChIKey MVSSJPGNLQPWSW-UHFFFAOYSA-N
SMILES S1C=2C=C(NC(=O)C34CC5CC(C3)CC(C4)C5)C=CC2N=C1NC(=O)C6=CC=CC=C6
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing NVP-231 (CHEBI:228679) is a benzothiazoles (CHEBI:37947)
IUPAC Name
N-(2-benzamido-1,3-benzothiazol-6-yl)adamantane-1-carboxamide
Manual Xref Database
3310386 ChemSpider
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