hyoscine-N-butylbromide
1-bromobutane;[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
Molecular Identity
hyoscine-N-butylbromide
1-bromobutane;[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
PubChem CID: 23616699
2D Structure
Properties
C21H30BrNO4
Molecular Formula
440.40
Molecular Weight
g/mol
439.1358
Exact Mass
Da
62.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
431
Complexity
SMILES
Canonical SMILES
SMILES: CCCCBr.CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4Isomeric SMILES
SMILES: CCCCBr.CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4Synonyms(2)
hyoscine-N-butylbromideSCHEMBL42283
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to hyoscine-N-butylbromide
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