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CHEBI:231727 - SNC-80

Default Structure
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:
convulsant  A drug that induces seizures or increases their severity.
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.
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.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
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
4-[(R)-[(2S,5R)-2,5-dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-methoxyphenyl)methyl]-N,N-diethylbenzamideChEBI
(+)-4-[(αR)-α-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl]-N,N-diethylbenzamideChEBI
SNC 80ChEBI
SNC80ChEBI
Manual XrefsDatabases
SNC-80Wikipedia
Registry NumbersSources
CAS:156727-74-1ChEBI
Citations