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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:5612 - Halofantrine
Main
ChEBI Ontology
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ChEBI Name
Halofantrine
ChEBI ID
CHEBI:5612
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C26H30Cl2F3NO
Net Charge
0
Average Mass
500.425
Monoisotopic Mass
499.16565
InChI
InChI=1S/C26H30Cl2F3NO/c1-
3-
5-
10-
32(11-
6-
4-
2)
12-
9-
25(33)
23-
16-
22-
21(14-
18(27)
15-
24(22)
28)
20-
13-
17(26(29,30)
31)
7-
8-
19(20)
23/h7-
8,13-
16,25,33H,3-
6,9-
12H2,1-
2H3/t25-
/m0/s1
InChIKey
FOHHNHSLJDZUGQ-VWLOTQADSA-N
SMILES
CCCCN(CCCC)CC[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(ccc12)C(F)(F)F
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
Halofantrine (
CHEBI:5612
)
is a
phenanthrenes (
CHEBI:25961
)
Synonym
Source
Halofantrine
KEGG COMPOUND
Manual Xrefs
Databases
C07634
KEGG COMPOUND
D08033
KEGG DRUG
View more database links
Registry Number
Type
Source
69756-53-2
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014