Basic information
- CAS
1181222-90-1- Standard SMILES
CN1CCC[C@@H]1Cc1cn(CCS(=O)(=O)c2ccccc2)c2ccc(CCS(=O)(=O)c3ccccc3)cc12- InChIKey
FFEHMCHHGNHXJL-AREMUKBSSA-N- Molecular formula
- C30H34N2O4S2
- Average molar mass
- 550.7 g/mol
Names & identifiers
- Preferred name
- 1,5-bis[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
- IUPAC
- 1,5-bis[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
- English name
- Eletriptan Impurity 2
- Molecular formula
- C30H34N2O4S2
- Molecular weight
- 550.73
Names & synonyms
SCHEMBL774519Eletriptan Impurity 2(R)-3-((1-Methylpyrrolidin-2-yl)methyl)-1,5-bis(2-(phenylsulfonyl)ethyl)-1H-indole1H-Indole, 3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1,5-bis[2-(phenylsulfonyl)ethyl]-
Database identifiers
- CAS
1181222-90-1
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 961
Physicochemical properties
- Boiling point
- 784.8 · 784.8±60.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 10.33 · 10.33±0.40(Predicted)
Chemistry & industry
Applications
Uses3-[[(2R)-1-Methyl-2-pyrrolidinyl]methyl]-1,5-bis[2-(phenylsulfonyl)ethyl]-1H-indole is an impurity in 5-(E)(R)-2-benzenesulfonylethenyl-3-(1-methylpyrrolidin-2-ylmethyl)-1H-indole, an intermediate for Relpax.
Suppliers8 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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