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Scopine Methobromide

CAT: 0572-TRC-S199985-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S199985-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1508-46-9
Synonyms
(1R,2R,4S,5S,7s)-7-Hydroxy-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane Bromide; 1αH,5αH-Tropanium, 6β,7β-epoxy-3α-hydroxy-8-methyl-, bromide (8CI); 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-hydroxy-9,9-dimethyl-, bromide, (1α,2β,4β,5α,7β)- (9CI); N-Methylscopinium bromide (7CI); 3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, 3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane deriv.; BEA 2180 alcohol; Methscopinium bromide; N-Methylscopine bromide; Scopine methobromide; 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-hydroxy-9,9-dimethyl-, bromide (1:1), (1R,2R,4S,5S)-rel-; Tiotropium Bromide Monohydrate Imp. G (EP); (1R,2R,4S,5S,7s)-7-Hydroxy-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium Bromide
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[Br-].C[N+]1(C)[C@@H]2C[C@@H](O)C[C@H]1[C@@H]3O[C@H]23
Molecular Formula
C9 H16 N O2 . Br
Molecular Weight
250.13
InChI
InChI=1S/C9H16NO2.BrH/c1-10(2)6-3-5(11)4-7(10)9-8(6)12-9;/h5-9,11H,3-4H2,1-2H3;1H/q+1;/p-1/t5-,6-,7+,8-,9+;
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Scopine Methobromide
CAS Number1508-46-9
PubChem CID24191214
IUPAC Name9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-ol bromide
Molecular FormulaC9H16BrNO2
Molecular Weight250.13
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity209
SMILES
C[N+]1(C2CC(CC1C3C2O3)O)C.[Br-]
InChI
InChI=1S/C9H16NO2.BrH/c1-10(2)6-3-5(11)4-7(10)9-8(6)12-9;/h5-9,11H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey
IKDFZBCJDLZSNH-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Scopine Methobromide
CAS: 1508-46-9
CID: 24191214
Formula: C9H16BrNO2
MW: 250.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.13
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass249.03644
Monoisotopic Mass249.03644
Topological Polar Surface Area32.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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