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buprenorphine
A morphinane alkaloid that is 7,8-dihydromorphine 6-O-methyl ether in which positions 6 and 14 are joined by a -CH2CH2- bridge, one of the hydrogens of the N-methyl group is substituted by cyclopropyl, and a hydrogen at position 7 is substituted by a 2-hydroxy-3,3-dimethylbutan-2-yl group.


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03. Biological Effects of Specific Chemicals: pharmacological uses [CHEBI:52210] > neurotransmitter agent [CHEBI:35942] > opioid agent [CHEBI:60598] > mu-opioid agent [CHEBI:60599]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 pharmacological uses [CHEBI:52210] (736) 
 analgesic [CHEBI:35480] (114) 
 opioid analgesic [CHEBI:35482] (40) 
 buprenorphine [CHEBI:3216] (1)
 neurotransmitter agent [CHEBI:35942] (471) 
 opioid agent [CHEBI:60598] (32) 
 mu-opioid agent [CHEBI:60599] (26) 
 mu-opioid receptor agonist [CHEBI:55322] (22) 
 buprenorphine [CHEBI:3216] (1)
 delta-opioid agent [CHEBI:60601] (4) 
 delta-opioid receptor antagonist [CHEBI:59283] (2) 
 buprenorphine [CHEBI:3216] (1)
 kappa-opioid agent [CHEBI:60603] (6) 
 kappa-opioid receptor agonist [CHEBI:59282] (6) 
 buprenorphine [CHEBI:3216] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 organonitrogen compound [CHEBI:35352] (6705) 
 alkaloid [CHEBI:22315] (473) 
 isoquinoline alkaloid [CHEBI:24921] (120) 
 morphinane alkaloid [CHEBI:25418] (22) 
 buprenorphine [CHEBI:3216] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organonitrogen compound [CHEBI:35352] (6705) 
 alkaloid [CHEBI:22315] (473) 
 isoquinoline alkaloid [CHEBI:24921] (120) 
 morphinane alkaloid [CHEBI:25418] (22) 
 buprenorphine [CHEBI:3216] (1)
ChEBI Compound Accession Identifier  [CHEBI:3216]
ChEBI Compound Description  A morphinane alkaloid that is 7,8-dihydromorphine 6-O-methyl ether in which positions 6 and 14 are joined by a -CH2CH2- bridge, one of the hydrogens of the N-methyl group is substituted by cyclopropyl, and a hydrogen at position 7 is substituted by a 2-hydroxy-3,3-dimethylbutan-2-yl group.
ChEBI Compound Identification Number  3216
ChEBI InChI Value  InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1
ChEBI InChIKey Value  RMRJXGBAOAMLHD-IHFGGWKQSA-N
ChEBI Compound Name  buprenorphine
ChEBI SMILES Value  [H][C@@]1(C[C@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5C[C@H]2N(CC[C@@]31c45)CC1CC1)[C@](C)(O)C(C)(C)C
ChEBI Substance ID  92729937
ChEBI URL  ChEBI:3216
ChemSpider ID  559124
Ontomatica Chemical Accession Key (OnChAKey)  RMRJXGBAOAMLHD_IHFGGWKQSA_N_000_000000
PubChem Compound ID  644073