Anisodamine
[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Molecular Identity
Anisodamine
[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
PubChem CID: 6918612
2D Structure
Properties
C17H23NO4
Molecular Formula
305.40
Molecular Weight
g/mol
305.1627
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
70
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
396
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3Isomeric SMILES
SMILES: CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3Synonyms(20)
anisodamine55869-99-3Hyoscyamine, 6-hydroxy-01343Q8EL8[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoateDTXSID301025872(1R,3S,5R,6S)-6-HYDROXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL (2S)-3-HYDROXY-2-PHENYLPROPANOATEalpha-(Hydroxymethyl)benzeneacetic acid 6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl esterBenzeneacetic acid, alpha-(hydroxymethyl)-, (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-DTXSID00425118((1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)octan-3-yl) (2S)-3-hydroxy-2-phenylpropanoate(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)octan-3-yl (2S)-3-hydroxy-2-phenylpropanoateRefChem:915889(-)-6beta-hydroxyhyoscyamineDTXCID50375952
Data from PubChem (NCBI)
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