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CHEBI:59781 - dimethylthiambutene

ChEBI IDCHEBI:59781
ChEBI Namedimethylthiambutene
Stars
DefinitionN,N-Dimethylbut-3-en-2-amine in which each of the hydrogens at position 4 is substituted by a 2-thienyl group. An opioid analgesic drug, it is controlled under the UN Single Convention on Narcotic Drugs (1961), but is used in veterinary medicine, particularly in Japan.
Last Modified22 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H17NS2
Net Charge0
Average Mass263.431
Monoisotopic Mass263.08024
SMILESCC(C=C(c1cccs1)c1cccs1)N(C)C
InChIInChI=1S/C14H17NS2/c1-11(15(2)3)10-12(13-6-4-8-16-13)14-7-5-9-17-14/h4-11H,1-3H3
InChIKeyCANBGVXYBPOLRR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
Application:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
ChEBI Ontology
Outgoing Relation(s)
dimethylthiambutene (CHEBI:59781) has role opioid analgesic (CHEBI:35482)
dimethylthiambutene (CHEBI:59781) is a tertiary amine (CHEBI:32876)
dimethylthiambutene (CHEBI:59781) is a thiophenes (CHEBI:26961)
IUPAC Name 
N,N-dimethyl-4,4-di(thiophen-2-yl)but-3-en-2-amine
INNs  Source
dimetiltiambutenoChemIDplus
dimethylthiambutenumChemIDplus
dimethylthiambuteneChemIDplus
Synonyms  Source
3-dimethylamino-1,1-bis(2-thienyl)-1-buteneChemIDplus
N,N,1-trimethyl-3,3-di-2-thienylallylamineChemIDplus
3-dimethylamino-1,1-di-(2'-thienyl)-1-buteneChemIDplus
N,N,1-trimethyl-3,3-di(2-thienyl)-2-propenylamineNIST Chemistry WebBook
N,N-dimethyl-4,4-di(2-thienyl)-3-buten-2-amineNIST Chemistry WebBook
Manual XrefsDatabases
DB01444DrugBank
US2561899Patent
GB657301Patent
3156DrugCentral
Registry NumbersSources
Beilstein:84891Beilstein
CAS:524-84-5ChemIDplus
CAS:524-84-5NIST Chemistry WebBook