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CHEBI:749000 - nalfurafine hydrochloride

Default Structure
ChEBI IDCHEBI:749000
ChEBI Namenalfurafine hydrochloride
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaHCl.C28H32N2O5
Net Charge0
Average Mass513.034
Monoisotopic Mass512.20780
SMILESCl.[H][C@@]12Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@]([H])(C4)[C@]3(O)CC[C@H]2N(C)C(=O)/C=C/c1ccoc1
InChIInChI=1S/C28H32N2O5.ClH/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17;/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3;1H/b7-4+;/t20-,22-,26+,27+,28-;/m1./s1
InChIKeyDJSFYNINGIMKAG-FQJQBBMWSA-N
Roles Classification
Biological Role:
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:
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
ChEBI Ontology
Outgoing Relation(s)
nalfurafine hydrochloride (CHEBI:749000) has role renoprotective agent (CHEBI:231911)
nalfurafine hydrochloride (CHEBI:749000) is a phenanthrenes (CHEBI:25961)
Synonym  Source
NopicorChEMBL
Citations