MetaADEDB 2.0 @ LMMD
2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-2-propenoic acid
(XMXMKWBRPQAPEB-FMIVXFBMSA-N)
Structure
SMILES
OC(=O)/C(=C/c1ccc(cc1)Cc1cccnc1)/C
Molecular Formula:
C16H15NO2
Molecular Weight:
253.296
Log P:
3.1603
Hydrogen Bond Acceptor:
3
Hydrogen Bond Donor:
1
TPSA:
50.19
CAS Number(s):
75987-08-5
Synonym(s)
1.
2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-2-propenoic acid
2.
(E)-3-(4-(3-pyridlymethyl)phenyl)-2-methylacrylic acid
3.
2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-2-propenoic acid, sodium salt, (E)-isomer
4.
2-propenoic acid, 2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-, hydrochloride
5.
3-(4-(3-pyridylmethyl)phenyl)-2-methyl-2-propenoic acid
6.
OKY 1555
7.
OKY 1580
8.
OKY 1581
9.
OKY-1581
10.
beta-(4-(2-carboxy-1-propenyl)benzyl)pyridine
11.
sodium (E)-3-(4-(3-pyridylmethyl)phenyl)-2-methylacrylate
External Link(s)
MeSHC031517
PubChem Compound6437388
CHEMBLCHEMBL27829
ZINC13520230
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Necrosis3281885CTD
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