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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:136019 - nalfurafine
Main
ChEBI Ontology
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ChEBI Name
nalfurafine
ChEBI ID
CHEBI:136019
Stars
This entity has been manually annotated by a third party.
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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
)
View more via ChEBI Ontology
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