N-(3,4-dimethoxyphenethyl)-3-(4-(3-isopropyl-1-methyl-1H-indol-2-ylsulfonyl)phenoxy)-N-methylpropan-1-amine
Basic information
- CAS
121346-32-5- Standard SMILES
COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc1OC- InChIKey
GCVFQRRBTCHIPK-UHFFFAOYSA-N- Molecular formula
- C32H40N2O5S
- Average molar mass
- 564.7 g/mol
- Monoisotopic mass
- 564.26579355
Names & identifiers
- Preferred name
- N-(3,4-dimethoxyphenethyl)-3-(4-(3-isopropyl-1-methyl-1H-indol-2-ylsulfonyl)phenoxy)-N-methylpropan-1-amine
- IUPAC
- N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(1-methyl-3-propan-2-ylindol-2-yl)sulfonylphenoxy]propan-1-amine
- English name
- 3,4-Dimethoxy-N-methyl-N-[3-[4-[[1-methyl-3-(1-methylethyl)-1H-indol-2-yl]sulfonyl]phenoxy]propyl]benzeneethanamine oxalate
- Molecular formula
- C32H40N2O5S
- Molecular weight
- 564.74
Names & synonyms
121346-32-5N-(3,4-dimethoxyphenethyl)-3-(4-(3-isopropyl-1-methyl-1H-indol-2-ylsulfonyl)phenoxy)-N-methylpropan-1-amineSR33805 (analog)N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(1-methyl-3-propan-2-ylindol-2-yl)sulfonylphenoxy]propan-1-amineCHEMBL33620orb1738257SCHEMBL8960764SCHEMBL29766930DTXSID701026010SR-33805AMS-32873N-(3,4-dimethoxyphenethyl)-3-(4-((3-isopropyl-1-methyl-1H-indol-2-yl)sulfonyl)phenoxy)-N-methylpropan-1-amine
Show more names
SR 33805 OXALATEN-(3,4-Dimethoxyphenethyl)-3-(4-((3-isopropyl-1-methyl-1H-indol-2-yl)sulfonyl)phenoxy)-N-methyN-(3,4-Dimethoxyphenethyl)-3-(4-((3-isopropyl-1-methyl-1H-indol-2-yl)sulfonyl)phenoxy)-N-methylpr3,4-Dimethoxy-N-methyl-N-[3-[4-[[1-methyl-3-(1-methylethyl)-1H-indol-2-yl]sulfonyl]phenoxy]propyl]benzeneethanamineN-(3,4-Dimethoxyphenethyl)-3-(4-((3-isopropyl-1-methyl-1H-indol-2-yl)sulfonyl)phenoxy)-N-methylpropan-1-amine oxalate
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 856
Physicochemical properties
- Boiling point
- 724.1 · 724.1±60.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- Store at RT
- pka
- 8.82 · 8.82±0.50(Predicted)
Chemistry & industry
Applications
UsesSR 33805 Oxalate is a potent calcium entry blocker.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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