Basic information
- CAS
97-75-6- Standard SMILES
C[N+]1([O-])[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12- InChIKey
GSYQNAMOFFWAPF-PPOBMCMBSA-N- Molecular formula
- C17H21NO5
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.14197277
Overview
LSM-1606 is a tertiary amine oxide.
Names & identifiers
- Preferred name
- Scopolamine N-oxide
- IUPAC
- [(1R,2R,4S,5S)-9-methyl-9-oxido-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
- English name
- hyoscine N-oxide
- Molecular formula
- C17H21NO5
- Molecular weight
- 319.35
Names & synonyms
Scopolamine N-oxideHyoscine N-oxide97-75-6Genoscopolamine0I3054Z711Hyoscinamine oxideHyoscineamine oxideScopolamine aminoxideOxicopolamineScolamineScopodexSeamalin
Show more names
Scopolamine Impurity 5Scopolamine N-Oxide HClGSYQNAMOFFWAPF-REPVILDYSA-N9-methyl-9-oxy-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl-3'-hydroxy-2'-phenyl propanoate9-Methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate
SeronexScolenHyoscinamide oxideScopolamine N-oxide hydrobromidescopolamine-n-oxide(1R,2R,4S,5S,7s)-7-(((S)-3-hydroxy-2-phenylpropanoyl)oxy)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonane 9-oxideSR-01000841223UNII-0I3054Z711
Database identifiers
- CAS
97-75-6- PubChem CID
- 3000667
- DTXSID
DTXSID5046930- ChEMBL
CHEMBL1740879
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Melting point
- 80 ° · ~80°
- alpha
- 20 · D20 -14° in water
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 14.09 · 14.09±0.10(Predicted)
- color
- White to Pale Beige
- Stability
- Hygroscopic
- FDA UNII
- 0 I3054Z711 · 0I3054Z711
Chemistry & industry
Applications
UsesScopolamine N-Oxide is an impurity of Scopolamine (S200000), an acetylcholine antagonist used in the treatment of motion sickness and also used as antiemetic, antispasmodic, mydriatic, preanesthetic agents.
Suppliers17 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
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Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
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TLC梯尔希（南京）药物研发有限公司
Related reactions
0 records
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Compound notes
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