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Methscopolamine bromide 500mg

CAT: 0628-A10579-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A10579-500Size:500 mg
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CAS Number
155-41-9

Chemical Information

Methscopolamine bromide

Scopolamine methobromide is a quaternary ammonium salt resulting from the reaction of the amino group of scopolamine with methyl bromide. It has a role as a muscarinic antagonist, a parasympatholytic, an antiemetic and an antispasmodic drug. It is a bromide salt and a quaternary ammonium salt. It is functionally related to a scopolamine.

CAS Number155-41-9
PubChem CID5459110
IUPAC Name[(1R,2R,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate bromide
Molecular FormulaC18H24BrNO4
Molecular Weight398.3
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity454
SMILES
C[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.[Br-]
InChI
InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12?,13-,14-,15+,16-,17+;/m1./s1
InChIKey
CXYRUNPLKGGUJF-OZVSTBQFSA-M
Chemical Structure
2D Structure
2D structure of Methscopolamine bromide
CAS: 155-41-9
CID: 5459110
Formula: C18H24BrNO4
MW: 398.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass397.08887
Monoisotopic Mass397.08887
Topological Polar Surface Area59.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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284918-01Methscopolamine bromide
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