Anisodine hydrobromide
[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-2,3-dihydroxy-2-phenylpropanoate;hydrobromide
Molecular Identity
Anisodine hydrobromide
[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-2,3-dihydroxy-2-phenylpropanoate;hydrobromide
PubChem CID: 11972243
2D Structure
Properties
C17H22BrNO5
Molecular Formula
400.30
Molecular Weight
g/mol
399.0681
Exact Mass
Da
82.5
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
462
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)(C4=CC=CC=C4)O.BrIsomeric SMILES
SMILES: CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@@](CO)(C4=CC=CC=C4)O.BrSynonyms(20)
Anisodine hydrobromide76822-34-96JS7JS5B0FBenzeneacetic acid, alpha-hydroxy-alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(sup 2,4))non-7-yl ester, hydrobromide, (7(S)-(1-alpha,2-beta,4-beta,5-alpha,7-beta))-(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (S)-2,3-dihydroxy-2-phenylpropanoate hydrobromide(S)-(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2,3-dihydroxy-2-phenylpropanoate hydrobromide[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-2,3-dihydroxy-2-phenylpropanoate;hydrobromideAnisodine (hydrobromide)AT (sub 3)UNII-6JS7JS5B0Fa-Hydroxy-a-(hydroxymethyl)-Benzeneacetic Acid (aS)-(1a,2ss,4ss,5a,7ss)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl Ester; Hydrobromide;Scopolamine Impurity 7J3.145.635Eorb1705282orb3140939
Data from PubChem (NCBI)
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