9-Methyl-3-oxa-9-azatricyclo(3.3.1.02,4)nonan-7-yl tropate
Basic information
- CAS
475199-31-6- Standard SMILES
CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12- InChIKey
STECJAGHUSJQJN-UHFFFAOYSA-N- Molecular formula
- C17H21NO4
- Average molar mass
- 303.35 g/mol
- Monoisotopic mass
- 303.14705815
Overview
LSM-1330 is a 3-hydroxy carboxylic acid.
Names & identifiers
- Preferred name
- 9-Methyl-3-oxa-9-azatricyclo(3.3.1.02,4)nonan-7-yl tropate
- IUPAC
- (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate
Names & synonyms
DTXSID60858963475199-31-69-Methyl-3-oxa-9-azatricyclo(3.3.1.02,4)nonan-7-yl tropate9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl tropateRefChem:1075018DTXCID90196688scopolamine(-)-Scopolamine51-34-3AtroscineSkopolaminCHEMBL13030
Show more names
Scopoderm-TTS138-12-5Plexonal9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropateAtroscinScopolamine?NSC61806SCHEMBL16227
Database identifiers
- CAS
475199-31-6- PubChem CID
- 5184
- DTXSID
DTXSID60858963- ChEMBL
CHEMBL13030- ChEBI
CHEBI:91541- Nikkaji
- J1.587.795B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Exposure RoutesParental (intravenous, intramuscular, and transdermal); oral
Toxicity SummaryScopolamine acts by interfering with the transmission of nerve impulses by acetylcholine in the parasympathetic nervous system (specifically the vomiting center).
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Chemistry & industry
Pharmacology
Metabolism/MetabolitesRoute of Elimination: Less than 10% of the total dose is excreted in the urine as parent and metabolites over 108 hours.
Half Life: 4.5 hours
Uses & manufacturing
UsesFor the treatment of excessive salivation, colicky abdominal pain, bradycardia, sialorrhoea, diverticulitis, irritable bowel syndrome and motion sickness.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…