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J-113397 , CAS No.256640-45-6, Antagonist of NOP receptor
Basic Description
Synonyms | CompB|J-113397|256640-45-6|UNII-00M5444DIY|00M5444DIY|1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one|(+)-J-113397|CHEMBL357076|J113397|J 113397|1-(1-cyclooctylmethyl-3-hydroxymethyl-4-piperidyl)-3-ethyl-1,3-dihy |
Specifications & Purity | Moligand™ |
Grade | Moligand™ |
Action Type | ANTAGONIST |
Mechanism of action | Antagonist of NOP receptor |
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Names and Identifiers
IUPAC Name | 1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one |
INCHI | InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m0/s1 |
InChi Key | MBGVUMXBUGIIBQ-LEWJYISDSA-N |
Canonical SMILES | CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3CO)CC4CCCCCCC4 |
Isomeric SMILES | CCN1C2=CC=CC=C2N(C1=O)[C@@H]3CCN(C[C@H]3CO)CC4CCCCCCC4 |
Alternate CAS | 256640-45-6 |
PubChem CID | 5311194 |
MeSH Entry Terms | 1-(1-cyclooctylmethyl-3-hydroxymethyl-4-piperidyl)-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one;CompB;J 113397;J-113397 |
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