Nolotil (combination) structure

Nolotil (combination)

sodium;[(1R,2R,4S,5S)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate;bromide

Also Known As: Nolotil (combination)|Buscopan compositum|SB 502|Butylscopolamine bromide mixture with dipyrone|N-Butylscopolammonium bromide combined with sodium sulpyrine (1:25)|(7(S)-(1alpha,2beta,4beta,5alpha,7beta))-9-Butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane, bromide, mixt. with ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)methane sulfonate sodium salt|sodium;[(1R,2R,4S,5S)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate;bromide|(1R,2R,4S,5S)-9-Butyl-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium sodium bromide [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonate (1/1/1/1)|(7(S)-(1 alpha,2 beta,4 beta,5 alpha,7 beta))- 9-butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9- methyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane, bromide, mixt. with ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)methane|(7(S)-(1 alpha,2 beta,4 beta,5 alpha,7 beta))- 9-butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9- methyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane, bromide, mixt. with ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)methane sulfonate sodium salt|3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 9-butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-, bromide, [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-, mixt. with sodium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonate|9-Butyl-7-((3-hydroxy-2-phenylpropanoyl)oxy)-9-methyl-3-oxa-9-azatricyclo(3.3.1.0~2,4~)nonan-9-ium sodium bromide ((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino)methanesulfonate (1/1/1/1)|9-Butyl-7-[(3-hydroxy-2-phenylpropanoyl)oxy]-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium sodium bromide [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonate (1/1/1/1)

CAS: 8059-83-4
Molecular Formula C34H46BrN4NaO8S
Molecular Weight 772.21173 g/mol
LogP -3.33568
Topological Polar Surface Area 151.0 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 11
Rotatable Bonds 11
Exact Mass 772.21173
Monoisotopic Mass 772.21173
Heavy Atoms 49
Complexity 1030.0

Chemical Identifiers

CAS Number 8059-83-4
SMILES CCCC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+].[Br-]
InChIKey HXVLGCPUEAIPLA-IUVSCEIPSA-L

Product Overview

Nolotil (combination) (CAS 8059-83-4), with molecular formula C34H46BrN4NaO8S and molecular weight 772.21173 g/mol. IUPAC: sodium;[(1R,2R,4S,5S)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate;bromide.

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