MetaADEDB 2.0 @ LMMD
3-hydroxybenzoylecgonine
(XCJJCRPRQYXLRE-AHLTXXRQSA-N)
Structure
SMILES
Oc1cccc(c1)C(=O)O[C@H]1C[C@@H]2CC[C@H]([C@H]1C(=O)O)N2C
Molecular Formula:
C16H19NO5
Molecular Weight:
305.326
Log P:
1.4228
Hydrogen Bond Acceptor:
6
Hydrogen Bond Donor:
2
TPSA:
87.07
CAS Number(s):
129944-99-6
Synonym(s)
1.
3-hydroxybenzoylecgonine
2.
m-hydroxybenzoylecgonine
3.
p-hydroxybenzoylecgonine
External Link(s)
MeSHC085009
PubChem Compound5289062
448357
ZINC6481301
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Cocaine-Related Disorders9891608
11043650
17132243
CTD
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