EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231727 - SNC-80

ChEBI IDCHEBI:231727
ChEBI NameSNC-80
Stars
DefinitionA member of the class of alkylpiperazines that is piperazine substituted by (R)-[4-(diethylcarbamoyl)phenyl](3-methoxyphenyl)methyl, methyl, prop-1-en-3-yl, and methyl groups at positions 1, 2S, 4, and 5R, respectively. It is a δ-opioid receptor agonist that exhibits antidepressant, anxiolytic, analgesic, and antineoplastic activities.
Last Modified1 August 2024
SubmitterJoan Glenny Pescov
DownloadsMolfile
FormulaC28H39N3O2
Net Charge0
Average Mass449.639
Monoisotopic Mass449.30423
SMILES[H][C@@](c1ccc(C(=O)N(CC)CC)cc1)(c1cccc(OC)c1)N1C[C@@H](C)N(CC=C)C[C@@H]1C
InChIInChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
InChIKeyKQWVAUSXZDRQPZ-UMTXDNHDSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
delta-opioid receptor agonist  A compound that exhibits agonist activity at the δ-opioid receptor.
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
Applications:
anxiolytic drug  Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions.
delta-opioid receptor agonist  A compound that exhibits agonist activity at the δ-opioid receptor.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
convulsant  A drug that induces seizures or increases their severity.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
ChEBI Ontology
Outgoing Relation(s)
SNC-80 (CHEBI:231727) has role antidepressant (CHEBI:35469)
SNC-80 (CHEBI:231727) has role antineoplastic agent (CHEBI:35610)
SNC-80 (CHEBI:231727) has role anxiolytic drug (CHEBI:35474)
SNC-80 (CHEBI:231727) has role convulsant (CHEBI:231761)
SNC-80 (CHEBI:231727) has role opioid analgesic (CHEBI:35482)
SNC-80 (CHEBI:231727) has role δ-opioid receptor agonist (CHEBI:64054)
SNC-80 (CHEBI:231727) is a N-alkylpiperazine (CHEBI:46845)
SNC-80 (CHEBI:231727) is a benzamides (CHEBI:22702)
SNC-80 (CHEBI:231727) is a monomethoxybenzene (CHEBI:25235)
SNC-80 (CHEBI:231727) is a olefinic compound (CHEBI:78840)
SNC-80 (CHEBI:231727) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name 
4-[(R)-[(2S,5R)-2,5-dimethyl-4-(prop-2-en-1-yl)piperazin-1-yl](3-methoxyphenyl)methyl]-N,N-diethylbenzamide
Synonyms  Source
SNC80ChEBI
SNC 80ChEBI
(+)-4-[(αR)-α-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl]-N,N-diethylbenzamideChEBI
4-[(R)-[(2S,5R)-2,5-dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-methoxyphenyl)methyl]-N,N-diethylbenzamideChEBI
Manual XrefsDatabases
SNC-80Wikipedia
Registry NumbersSources
CAS:156727-74-1ChEBI
Citations