CHEBI:136019 - nalfurafine

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ChEBI Name nalfurafine
ChEBI ID CHEBI:136019
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H32N2O5
Net Charge 0
Average Mass 476.565
Monoisotopic Mass 476.23112
InChI InChI=1S/C28H32N2O5/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/b7-4+/t20-,22-,26+,27+,28-/m1/s1
InChIKey XGZZHZMWIXFATA-UEZBDDGYSA-N
SMILES O[C@]12[C@@]34C=5C(O[C@]3([C@@H](CC1)N(C(/C=C/C=6C=COC6)=O)C)[H])=C(O)C=CC5C[C@]2(N(CC4)CC7CC7)[H]
Roles Classification
Biological Role(s): 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.
(via phenanthrenes )
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ChEBI Ontology
Outgoing nalfurafine (CHEBI:136019) is a phenanthrenes (CHEBI:25961)
Synonyms Sources
nalfurafine HCl DrugCentral
nalfurafine hydrochloride DrugCentral
remitch DrugCentral
TRK-820 DrugCentral
winfuran DrugCentral
Manual Xref Database
4673 DrugCentral
View more database links
Registry Number Type Source
152657-84-6 CAS Registry Number DrugCentral
Last Modified
23 February 2017