Basic information
- CAS
273211-28-2- Standard SMILES
Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12.O- InChIKey
BORDVONYOHPTGR-JQDLGSOUSA-N- Molecular formula
- C22H29BrN2O3S
- Average molar mass
- 481.4 g/mol
- Monoisotopic mass
- 480.10823
Names & identifiers
- Preferred name
- Eletriptan hydrobromide monohydrate
- IUPAC
- 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;hydrate;hydrobromide
- English name
- Eletriptan Hydrobromide Monohydrate
- Molecular formula
- C22H29BrN2O3S
- Molecular weight
- 481.44626
Names & synonyms
Eletriptan hydrobromide monohydrate273211-28-2UNII-4139X692FA4139X692FA1H-Indole, 3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-, hydrobromide, hydrate (1:1:1)1H-Indole, 3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-, monohydrobromide, monohydrateRefChem:573965-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;hydrate;hydrobromideSCHEMBL2146547BORDVONYOHPTGR-JQDLGSOUSA-NEBC-136021D11617
Show more names
Eletriptan as Hydrobromide monohydrate: 3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]-1H-Indolehydrobromide hydrate (1:1:1)
Eletriptan Hydrobromide Monohydrate - API StandardsQ27258380
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 582
Physicochemical properties
- FDA UNII
- 4139 X692FA · 4139X692FA
- HS Code
- 2933995500 · 2933995500
Safety & regulation
Safety data
- hs_code
- 2933995500
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
郑州凡尔赛特化工有限公司0371-67991738 13783628208 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
3 records
Compound notes
Loading…