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AG003RIA
155-41-9 | (-)-Scopolamine methobromide
AG003RIA
SDS
COATIP
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| CAS Number | 155-41-9 |
| Catalog Number | AG003RIA(AGN-PC-0Q6WOQ) |
| Chemical Name | (-)-Scopolamine methobromide |
| EC Number | 205-844-5 |
| 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 |
| 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 |
| InChI Key | CXYRUNPLKGGUJF-OZVSTBQFSA-M |
| MDL Number | MFCD00078560 |
| Molecular Formula | C18H24BrNO4 |
| Molecular Weight | 398.2915 |
| SMILES | C[N+]1([C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4)C.[Br-] |
| UNII | RTN51LK7WL |
| Synonyms | Bromide, N-Methylscopolamine,
DD 234,
DD-234,
DD234,
Hyoscine Methiodide,
Hyoscine Methobromide,
Iodide, N-Methylscopolamine,
Methiodide, Hyoscine,
Methobromide, Hyoscine,
Methscopolamine,
Methylbromide, Scopolamine,
Methylchloride, N-Methylscopolamine,
Methylscopolamine Nitrate,
Methylscopolammonium Methylsulfate,
Methylsulfate, Methylscopolammonium,
Methylsulfate, N-Methylscine,
Methylsulfate, N-Methylscopolamine,
N Methylscine Methylsulfate,
N Methylscopolamine,
N Methylscopolamine Bromide,
N Methylscopolamine Iodide,
N Methylscopolamine Methylchloride,
N Methylscopolamine Methylsulfate,
N Methylscopolamine Nitrate,
N-Methylscine Methylsulfate,
N-Methylscopolamine,
N-Methylscopolamine Bromide,
N-Methylscopolamine Iodide,
N-Methylscopolamine Methylchloride,
N-Methylscopolamine Methylsulfate,
N-Methylscopolamine Nitrate,
Nitrate, Methylscopolamine,
Nitrate, N-Methylscopolamine,
Scopolamine Methylbromide,
Skopyl,
Ulix,
METHSCOPOLAMINE BROMIDE,
scopolamine methyl bromide,
Hyoscine methyl bromide,
methscopolamine,
155-41-9,
(-)-Scopolamine methyl bromide,
Methscopolamine (bromide),
Scopolamine methobromide,
UNII-RTN51LK7WL,
Scopolamine methylbromide,
Proscomide,
Pamine,
Methylscopolamine bromide,
MFCD00078560,
Hyoscine Methobromide,
RTN51LK7WL,
Ampyrox,
Holopon,
Mescopil,
Paraspan,
Restropin,
Scordin,
Blocan,
Diopal,
Nutrop,
N-Methylhyoscine bromide,
MLS000069754,
Pamine Forte,
Neo-Avagal,
Lescopine bromide,
CHEBI:61276,
Hyoscin methobromide,
N-Methylscopolammonium bromide,
Epoxymethamine bromide,
Hyoscine methylbromide,
Hyoscin-N-methylbromid,
Epoxytropine tropate methylbromide,
Methoscopylamine bromide,
SMR000058794,
Scopolamin-N-methylbromid,
(S)-6beta,7beta-Epoxy-8-methyl-3alpha-(-)-tropoyloxy-1alphaH,5alphaH-tromanium bromide,
DSSTox_CID_20608,
DSSTox_RID_79509,
DSSTox_GSID_40608,
Methylscopolamine hydrobromide,
Methscopolamine bromide [USP],
Scopolammonium, N-methyl-, bromide,
EINECS 205-844-5,
SCOPOLAMMONIUM, N-METHYLBROMIDE,
NSC 120606,
(1R,2R,4S,5S,7S)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium bromide,
CAS-155-41-9,
Methscopolamine (Pamine),
N-Methylhyoscinium bromide,
U 0382,
(-)-scopolamine methobromide,
1alphaH,5alphaH-Tropanium, 6beta,7beta-epoxy-3alpha-hydroxy-8-methyl-, bromide, (-)-tropate,
6beta,7beta-Epoxy-3alpha-hydroxy-8-methyl-1alphaH,5alphaH-tropanium bromide (-)-tropate,
n-methylscopolamine methylsulfate,
1-alpha-H,5-alpha-H-Tropanium,6-beta,7-beta-epoxy-3-alpha-hydroxy-8-methyl-, bromide, (-)-tropate (ester),
7-(3-Hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-3-oxo-9-azoniatricyclo-(3.3.1.0(2,4))nonane bromide,
Methylhyoscine Bromide,
Opera_ID_514,
NCGC00013724-01,
EC 205-844-5,
AC1Q1R9E,
SCHEMBL152483,
Methscopolamine-bromide(Pamine),
CHEMBL1354199,
CHEMBL3091667,
DTXSID2040608,
Hyoscine Butylbromide Impurity C,
Scopolamine methyl bromide;Pamine,
HMS2235K24,
1-alpha-H,5-alpha-H-Tropanium, 6-beta,7-beta-epoxy-3-alpha-hydroxy-8-methyl-, bromide, (-)-tropate (ester),
3-Oxa-9-azoniatricyclo(3.3.1.0(sup 2,4))nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, bromide, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-,
3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 7-((2S)-3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, bromide, (1alpha,2beta,4beta,5alpha,7beta)-,
HY-B0344,
Tox21_110037,
s1978,
AKOS030524090,
Tox21_110037_1,
API0004143,
CS-2386,
DS-3286,
NCGC00022697-03,
AB2000400,
SW219038-1,
(-)-Scopolamine methyl bromide, >=98% (HPLC), powder,
Methscopolamine bromide, United States Pharmacopeia (USP) Reference Standard,
(-)-(1S,3s,5R,6R,7S)-6,7-epoxy-8-methyl-3-[(S)-tropoyloxy]tropanium bromide,
Oxitropium bromide impurity B, European Pharmacopoeia (EP) Reference Standard,
(1R,2R,4S,5S,7s)-7-(((S)-3-hydroxy-2-phenylpropanoyl)oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide,
(1R,2R,4S,5S,7s)-7-[[(2S)-3-Hydroxy-2-phenylpropanoyl]oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane Bromide (Methylhyoscine Bromide),
(1R,2R,4S,5S,7s)-7-[[(2S)-3-Hydroxy-2-phenylpropanoyl]oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide,
(1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane,
(1R,2R,4S,5S,7S)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromidebromide,
1alphaH,5alphaH-Tropanium, 6beta,7beta-epoxy-3alpha-hydroxy-8-methyl-, bromide, (-)-tropate (8CI),
3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 7-((2S)-3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, bromide (1:1), (1alpha,2beta,4beta,5alpha,7beta)-,
Elvitegravir,
Holopan,
Pamine Bromide,
(-)-Tropate(ester),
Scopolamin methylbromide,
Methylbromide scopolamine,
METHSCOPOLAMINEBROMIDE,
Methscopolamine methylbromide,
C18H24NO4.Br,
C18-H24-N-O4.Br,
HSDB 5420,
NSC61809,
ACN-048735,
CID5459110,
3-Oxa-9-azoniatricyclo[3.3.1.(2,4)]nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, bromide, [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7beta)]-,
3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, bromide, [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-,
3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, bromide (1:1), (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-,
3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, bromide, (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-,
6-beta,7-beta-epoxy-3-alpha-hydroxy-8-methyl-1-alpha H,5-alpha H-tropanium bromide tropate (ester),
697761-98-1,
|
| Complexity | 454 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 397.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 398.297g/mol |
| Monoisotopic Mass | 397.089g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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CERTIFICATE OF ANALYSIS
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Conclusion: The above product meets the specifications of Angene.
Analyst:Chase
Date:
Reviewed by:Jessie
Date:
Angene International Limited