| CAS Number | 845870-40-8 |
| Catalog Number | AG00G538(AGN-PC-0WAKJH) |
| Chemical Name | 2,5-Methano-2H-furo[3,2-b]pyrrolium, hexahydro-6-hydroxy-4,4-dimethyl-, bromide (1:1), (2S,3aR,5S,6S,6aS)- |
| IUPAC Name | (1S,3S,4S,5S,7R)-6,6-dimethyl-2-oxa-6-azoniatricyclo[3.3.1.03,7]nonan-4-ol;bromide |
| InChI | InChI=1S/C9H16NO2.BrH/c1-10(2)6-3-5-4-7(10)9(12-5)8(6)11;/h5-9,11H,3-4H2,1-2H3;1H/q+1;/p-1/t5-,6-,7+,8-,9-;/m0./s1 |
| InChI Key | HPPJGZLQZCTDIY-FIXIDERTSA-M |
| MDL Number | MFCD31563379 |
| Molecular Formula | C9H15BrNO2 |
| Molecular Weight | 249.1249 |
| SMILES | C[N+](C)([C@@]1([H])CC(C2)([H])O3)[C@@]2([H])[C@@]3([H])[C@H]1OBr |
| Synonyms | Scopoline Methobromide,
845870-40-8,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.136g/mol |
| Monoisotopic Mass | 249.036g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number