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CHEBI:750213 - dinalbuphine sebacate
| Formula | C52H68N2O10 |
| Net Charge | 0 |
| Average Mass | 881.120 |
| Monoisotopic Mass | 880.48740 |
| SMILES | [H][C@@]12Oc3c(OC(=O)CCCCCCCCC(=O)Oc4ccc5c6c4O[C@@]4([H])[C@@H](O)CC[C@]7(O)[C@@]64CCN(CC4CCC4)[C@]7([H])C5)ccc4c3[C@@]13CCN(CC1CCC1)[C@]([H])(C4)[C@]3(O)CC[C@@H]2O |
| InChI | InChI=1S/C52H68N2O10/c55-35-19-21-51(59)39-27-33-15-17-37(45-43(33)49(51,47(35)63-45)23-25-53(39)29-31-9-7-10-31)61-41(57)13-5-3-1-2-4-6-14-42(58)62-38-18-16-34-28-40-52(60)22-20-36(56)48-50(52,44(34)46(38)64-48)24-26-54(40)30-32-11-8-12-32/h15-18,31-32,35-36,39-40,47-48,55-56,59-60H,1-14,19-30H2/t35-,36-,39+,40+,47-,48-,49-,50-,51+,52+/m0/s1 |
| InChIKey | ALOIOAGKUOQNID-ITCIXCFHSA-N |
| Roles Classification |
|---|
| Biological Roles: | analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| Application: | analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| dinalbuphine sebacate (CHEBI:750213) has role analgesic (CHEBI:35480) |
| dinalbuphine sebacate (CHEBI:750213) is a phenanthrenes (CHEBI:25961) |
| INNs | Source |
|---|---|
| dinalbuphine sebacate | WHO MedNet |
| sebacate de dinalbuphine | WHO MedNet |
| sebacato de dinalbufina | WHO MedNet |
| Synonyms | Source |
|---|---|
| Nalbuphine sebacate | ChEMBL |
| Naldebain | ChEMBL |
| Sebacoyldinalbuphine | ChEMBL |
| Citations |
|---|