Basic information
- CAS
18067-13-5- Standard SMILES
COS(=O)(=O)[O-].C[N+]1(C)[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12- InChIKey
KHMGIQHRSVLFQG-OZVSTBQFSA-M- Molecular formula
- C19H27NO8S
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.14573799
Overview
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Names & identifiers
- Preferred name
- n-Methylscopolamine methylsulfate
- IUPAC
- [(1R,2R,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;methyl sulfate
Names & synonyms
DaipinSandrixEspasmo gasiumUlixn-methylscopolamine methylsulfateMethylscopolamine methyl sulfateN-Methylhyoscine methyl sulfateN-Methylscopolamine methosulfateMethylscopolammonium methylsulfateN-Methylscopolamine methyl sulfate18067-13-5R044N53C06
Show more names
N-Methylscopolamine methylsulfate [JAN]VitasterinN-Methylhyoscin methylsulfatMethylscopolamine methosulfateUNII-R044N53C06CERM 1290N-Methylscopolaminium methylsulfatEINECS 241-975-4
Database identifiers
- CAS
18067-13-5- PubChem CID
- 197965
- UNII
- R044N53C06
Properties
Computed structural properties
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
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Compound notes
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