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(-) -Scopolamine methyl bromide

CAT: 0024-sc-253545Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-253545Size:1 g
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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

Related Products

CatalogName
sc-264301A(-) Scopolamine methyl nitrate
sc-264301(-) Scopolamine methyl nitrate
sc-473216Scopolamine
sc-473216BScopolamine
sc-473216AScopolamine
sc-233878Anisotropine methyl bromide
sc-295160AHomatropine methyl bromide
sc-295160Homatropine methyl bromide
sc-253544(-) -Scopolamine hydrochloride
sc-478714Nor Scopolamine

Alternative Products

CatalogName
166493Scopolamine Methyl Bromide
465963-01(-) -Scopolamine Methyl Bromide
RG-A263169-01Isobutyl Bromide Scopolamine
CS-O-51814Scopolamine butyl bromide D9
FS10191-01(-) -Scopolamine N-butyl bromide
S7100-01Scopolamine Methyl Nitrate
HY-W127702-01Scopolamine methyl (nitrate)
289036-01(-) -Scopolamine N-butyl bromide discontinued. See 005434
AR-S10011-01Hyoscine Butylbromide-d9 (N-Butyl Scopolamine Bromide-d9, N-Butyl Hyoscine Bromide-d9)
MBS5779291Adiphenine methyl bromide

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