MetaADEDB 2.0 @ LMMD
gabaculine
(KFNRJXCQEJIBER-UHFFFAOYSA-N)
Structure
SMILES
NC1C=CC=C(C1)C(=O)O
Molecular Formula:
C7H9NO2
Molecular Weight:
139.152
Log P:
0.9849
Hydrogen Bond Acceptor:
3
Hydrogen Bond Donor:
2
TPSA:
63.32
CAS Number(s):
59556-18-2; 87980-11-8
Synonym(s)
1.
gabaculine
2.
3-amino-2,3-dihydrobenzoic acid
3.
gabaculin
4.
gabaculine hydrochloride
5.
gabaculine hydrochloride, (+-)-isomer
6.
gabaculine, (+-)-isomer
7.
gabaculine, (-)-isomer
External Link(s)
MeSHC012987
PubChem Compound3445
25244048
ChEBI29585
CHEMBLCHEMBL1394922
KEGGcpd:C12110
Therapeutic Target DatabaseD03DVF
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Catalepsy33340CTD
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