URB597 (CHEBI:188061)

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CHEBI:188061 - URB597

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ChEBI ID	CHEBI:188061
ChEBI Name	URB597
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H22N2O3
Net Charge	0
Average Mass	338.407
Monoisotopic Mass	338.16304
SMILES	NC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChI	InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
InChIKey	ROFVXGGUISEHAM-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood plasma (BTO:0000131)	MetaboLights (MTBLS2224)

Roles Classification

antipsychotic agent Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.

ChEBI Ontology

Outgoing Relation(s)
	URB597 (CHEBI:188061) has role antipsychotic agent (CHEBI:35476)
	URB597 (CHEBI:188061) is a biphenyls (CHEBI:22888)

IUPAC Name
[3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate

Synonyms	Source
KDS-4103	ChEMBL
ORG-231295	ChEMBL
urb-597	ChEMBL
Urb-597	ChEMBL
Urb597	ChEMBL
URB 597	ChEMBL

Manual Xrefs	Databases
1156960	ChemSpider

Registry Numbers	Sources
CAS:546141-08-6	ChemIDplus

Citations