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CHEBI:652822 - buprenorphine hydrochloride
| Formula | C29H42NO4.Cl |
| Net Charge | 0 |
| Average Mass | 504.111 |
| Monoisotopic Mass | 503.28024 |
| SMILES | [Cl-].[H][C@]1([C@](C)(O)C(C)(C)C)C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CC[NH+](CC1CC1)[C@@H]3C5 |
| 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 |
| Roles Classification |
|---|
| Biological Roles: | 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 μ-opioid receptor. delta-opioid receptor antagonist Any compound that exhibits antagonist activity at the δ-opioid receptor. kappa-opioid receptor agonist A compound that exhibits agonist activity at the κ-opioid receptor. |
| Applications: | 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 μ-opioid receptor. delta-opioid receptor antagonist Any compound that exhibits antagonist activity at the δ-opioid receptor. kappa-opioid receptor agonist A compound that exhibits agonist activity at the κ-opioid receptor. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| buprenorphine hydrochloride (CHEBI:652822) has part buprenorphine (CHEBI:3216) |
| buprenorphine hydrochloride (CHEBI:652822) has role opioid analgesic (CHEBI:35482) |
| buprenorphine hydrochloride (CHEBI:652822) has role δ-opioid receptor antagonist (CHEBI:59283) |
| buprenorphine hydrochloride (CHEBI:652822) has role κ-opioid receptor agonist (CHEBI:59282) |
| buprenorphine hydrochloride (CHEBI:652822) has role μ-opioid receptor agonist (CHEBI:55322) |
| buprenorphine hydrochloride (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 | Source |
|---|---|
| Buprenorphine hydrochloride | ChEMBL |
| (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 |
| buprenorphine HCl | ChEBI |
| 17-cyclopropylmethyl-4,5α-epoxy-7α-((S)-1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-endo-ethanomorphinan-3-ol hydrochloride | ChEBI |
| (−)-buprenorphine 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 |
| Brand Name | Source |
|---|---|
| Belbuca | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| D00836 | KEGG DRUG |
| DBSALT000019 | DrugBank |
| Registry Numbers | Sources |
|---|---|
| Beilstein:6362066 | Beilstein |
| CAS:53152-21-9 | ChemIDplus |
| Citations |
|---|