CHEBI:652822 - buprenorphine hydrochlorie

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name buprenorphine hydrochlorie
ChEBI ID CHEBI:652822
Definition The hydrochloride salt of buprenorphine.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3217, CHEBI:396026
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Formula C29H42ClNO4
Net Charge 0
Average Mass 504.10100
Monoisotopic Mass 503.28024
InChI InChI=1S/C29H41NO4.ClH/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;1H/t20-,21-,24-,26+,27-,28+,29-;/m1./s1
InChIKey UAIXRPCCYXNJMQ-RZIPZOSSSA-N
SMILES [Cl-].[H][C@@]1(C[C@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5C[C@H]2[NH+](CC[C@@]31c45)CC1CC1)[C@](C)(O)C(C)(C)C
Roles Classification
Biological Role(s): opioid analgesic
A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
mu-opioid receptor agonist
A compound that exhibits agonist activity at the mu-opioid receptor.
kappa-opioid receptor agonist
A compound that exhibits agonist activity at the kappa-opioid receptor.
delta-opioid receptor antagonist
A compound that exhibits antagonist activity at the delta-opioid receptor.
Application(s): opioid analgesic
A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
mu-opioid receptor agonist
A compound that exhibits agonist activity at the mu-opioid receptor.
kappa-opioid receptor agonist
A compound that exhibits agonist activity at the kappa-opioid receptor.
delta-opioid receptor antagonist
A compound that exhibits antagonist activity at the delta-opioid receptor.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing buprenorphine hydrochlorie (CHEBI:652822) has part buprenorphine (CHEBI:3216)
buprenorphine hydrochlorie (CHEBI:652822) has role δ-opioid receptor antagonist (CHEBI:59283)
buprenorphine hydrochlorie (CHEBI:652822) has role κ-opioid receptor agonist (CHEBI:59282)
buprenorphine hydrochlorie (CHEBI:652822) has role μ-opioid receptor agonist (CHEBI:55322)
buprenorphine hydrochlorie (CHEBI:652822) has role opioid analgesic (CHEBI:35482)
buprenorphine hydrochlorie (CHEBI:652822) is a hydrochloride (CHEBI:36807)
IUPAC Name
(5α,6β,14β,18R)-17-(cyclopropylmethyl)-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol hydrochloride
Synonyms Sources
(−)-buprenorphine hydrochloride ChEBI
(5α,6β,14β,18R)-17-(cyclopropylmethyl)-3-hydroxy-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-17-ium chloride IUPAC
17-cyclopropylmethyl-4,5α-epoxy-7α-((S)-1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-endo-ethanomorphinan-3-ol hydrochloride ChEBI
2-(N-cyclopropylmethyl-4,5α-epoxy-3-hydroxy-6-methoxy-6,14-endo-ethanomorphinan-6α-yl)-3,3-dimethyl-2-butanol hydrochloride ChEBI
21-cyclopropyl-7α-[(S)-1-hydroxy-1,2,2-trimethylpropyl]-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine hydrochloride ChemIDplus
buprenorphine HCl ChEBI
Buprenorphine hydrochloride ChEMBL
Brand Name Source
Belbuca ChemIDplus
Manual Xrefs Databases
D00836 KEGG DRUG
DB00921 DrugBank
View more database links
Registry Numbers Types Sources
53152-21-9 CAS Registry Number ChemIDplus
6362066 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
11585443 PubMed citation ChEMBL
Last Modified
13 January 2016