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Hyoscine Butylbromide

CAT: 1299-RM-H150910-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-H150910-01Size:10 mg
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CAS Number
149-64-4
Synonyms
(1R,2R,4S,5S,7s,9S) -9-butyl-7- (((S) -3-hydroxy-2-phenylpropanoyl) oxy) -9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide
Molecular Formula
C21H30BrNO4
Molecular Weight
440.37
Target Alternative Name
Hyoscine
Product Name Synonym
(1R,2R,4S,5S,7s,9S) -9-butyl-7- (((S) -3-hydroxy-2-phenylpropanoyl) oxy) -9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide

Chemical Information

N-Butylscopolammonium Bromide

Butylscopolamine bromide is an organic bromide salt of butylscopolamine. It is an antispasmodic drug which can relieve painful stomach cramps (including those linked with irritable bowel syndrome), bladder and menstrual cramps. It has a role as a muscarinic antagonist and an antispasmodic drug. It is a quaternary ammonium salt and an organic bromide salt. It contains a butylscopolamine.

CAS Number149-64-4
PubChem CID6852391
IUPAC Name[(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 bromide
Molecular FormulaC21H30BrNO4
Molecular Weight440.4
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity500
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.[Br-]
InChI
InChI=1S/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15?,16-,17-,18+,19-,20+,22?;/m1./s1
InChIKey
HOZOZZFCZRXYEK-HNHWXVNLSA-M
Chemical Structure
2D Structure
2D structure of N-Butylscopolammonium Bromide
CAS: 149-64-4
CID: 6852391
Formula: C21H30BrNO4
MW: 440.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass439.13582
Monoisotopic Mass439.13582
Topological Polar Surface Area59.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity500
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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RM-A201606-01Atropine Sulfate EP Impurity F; Hyoscine; Hyoscyamine EP Impurity D

Alternative Products

CatalogName
AR-S06188-01Hyoscine Butylbromide
CS-O-60172Hyoscine Butylbromide-d5
CS-O-60171Hyoscine Butylbromide-d3
AR-C06109-01Hyoscine Butylbromide D9
AR-S01222-01Hyoscine Butylbromide-d9
TRC-H546830-50MG9-epi-Hyoscine Butylbromide
AR-H01247-01Hyoscine Butylbromide EP Impurity A
AR-S10018-01(2'RS) -Hyoscine Butylbromide
AR-S01216-01Hyoscine Butylbromide EP Impurity D
AR-H00996-01Hyoscine Butylbromide EP Impurity E

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