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CHEBI:136019 - nalfurafine

ChEBI IDCHEBI:136019
ChEBI Namenalfurafine
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC28H32N2O5
Net Charge0
Average Mass476.573
Monoisotopic Mass476.23112
SMILES[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/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
InChIKeyXGZZHZMWIXFATA-UEZBDDGYSA-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.
ChEBI Ontology
Outgoing Relation(s)
nalfurafine (CHEBI:136019) is a phenanthrenes (CHEBI:25961)
Synonyms  Source
nalfurafine HClDrugCentral
remitchDrugCentral
winfuranDrugCentral
nalfurafine hydrochlorideDrugCentral
TRK-820DrugCentral
Manual XrefsDatabases
4673DrugCentral
Registry NumbersSources
CAS:152657-84-6DrugCentral