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ChEBI
> Main
CHEBI:131349 - (
R
)-Bay-K-8644
Main
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ChEBI Name
(
R
)-Bay-K-8644
ChEBI ID
CHEBI:131349
ChEBI ASCII Name
(R)-Bay-K-8644
Definition
A methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate in which the 4-position has (
R
)-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C16H15F3N2O4
Net Charge
0
Average Mass
356.297
Monoisotopic Mass
356.09839
InChI
InChI=1S/C16H15F3N2O4/c1-
8-
12(15(22)
25-
3)
13(14(21(23)
24)
9(2)
20-
8)
10-
6-
4-
5-
7-
11(10)
16(17,18)
19/h4-
7,13,20H,1-
3H3/t13-
/m1/s1
InChIKey
ZFLWDHHVRRZMEI-CYBMUJFWSA-N
SMILES
[C@@]1(C(=C(NC(=C1[N+](=O)[O-])C)C)C(OC)=O)(C=2C(=CC=CC2)C(F)(F)F)[H]
ChEBI Ontology
Outgoing
(
R
)-Bay-K-8644 (
CHEBI:131349
)
is a
methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate (
CHEBI:131345
)
(
R
)-Bay-K-8644 (
CHEBI:131349
)
is enantiomer of
(
S
)-Bay-K-8644 (
CHEBI:131347
)
Incoming
Bay-K-8644 (
CHEBI:34555
)
has part
(
R
)-Bay-K-8644 (
CHEBI:131349
)
(
S
)-Bay-K-8644 (
CHEBI:131347
)
is enantiomer of
(
R
)-Bay-K-8644 (
CHEBI:131349
)
IUPAC Name
methyl (4
R
)-
2,6-
dimethyl-
5-
nitro-
4-
[2-
(trifluoromethyl)phenyl]-
1,4-
dihydropyridine-
3-
carboxylate
Synonyms
Sources
(+)-Bay K8644
ChEBI
(+)-Bay-K-8644
ChEBI
(+)-BayK8644
ChEBI
(
R
)-Bay K8644
ChEBI
(
R
)-BayK8644
ChEBI
Registry Number
Type
Source
7574443
Reaxys Registry Number
Reaxys
Last Modified
29 February 2016