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ChEBI
> Main
CHEBI:87739 - (
R
)-warfarin sodium
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ChEBI Name
(
R
)-warfarin sodium
ChEBI ID
CHEBI:87739
ChEBI ASCII Name
(R)-warfarin sodium
Definition
An organic sodium salt having 2-oxo-3-[(1
R
)-3-oxo-1-phenylbutyl]-2
H
-1-benzopyran-4-olate as the counterion (the racemate is warfarin sodium, an anticoagulant drug and rodenticide).
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This entity has been manually annotated by the ChEBI Team.
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Formula
C19H15NaO4
Net Charge
0
Average Mass
330.310
Monoisotopic Mass
330.08680
InChI
InChI=1S/C19H16O4.Na/c1-
12(20)
11-
15(13-
7-
3-
2-
4-
8-
13)
17-
18(21)
14-
9-
5-
6-
10-
16(14)
23-
19(17)
22;/h2-
10,15,21H,11H2,1H3;/q;+1/p-
1/t15-
;/m1./s1
InChIKey
KYITYFHKDODNCQ-XFULWGLBSA-M
SMILES
[Na+].C1=CC=CC2=C1C(=C(C(O2)=O)[C@H](CC(C)=O)C3=CC=CC=C3)[O-]
ChEBI Ontology
Outgoing
(
R
)-warfarin sodium (
CHEBI:87739
)
has part
(
R
)-warfarin(1−) (
CHEBI:87743
)
(
R
)-warfarin sodium (
CHEBI:87739
)
is a
organic sodium salt (
CHEBI:38700
)
(
R
)-warfarin sodium (
CHEBI:87739
)
is enantiomer of
(
S
)-warfarin sodium (
CHEBI:87740
)
Incoming
warfarin sodium (
CHEBI:10034
)
has part
(
R
)-warfarin sodium (
CHEBI:87739
)
(
S
)-warfarin sodium (
CHEBI:87740
)
is enantiomer of
(
R
)-warfarin sodium (
CHEBI:87739
)
IUPAC Name
sodium 2-oxo-3-[(1
R
)-3-oxo-1-phenylbutyl]-2
H
-1-benzopyran-4-olate
Last Modified
28 August 2015