Basic information
- CAS
61826-31-1- Standard SMILES
CN1CCC[C@@H]1CCO[C@@](C)(c1ccccc1)c1ccc(Cl)cc1- InChIKey
YNNUSGIPVFPVBX-RTWAWAEBSA-N- Molecular formula
- C21H26ClNO
- Average molar mass
- 343.9 g/mol
- Monoisotopic mass
- 343.1702921
Names & identifiers
- Preferred name
- Clemastine Impurity 5
- IUPAC
- (2R)-2-[2-[(1S)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
- English name
- clemastine
- Molecular formula
- C21H26ClNO
- Molecular weight
- 343.89
Names & synonyms
Clemastine Impurity 5(R)-2-(2-((S)-1-(4-chlorophenyl)-1-phenylethoxy)ethyl)-1-methylpyrrolidine61826-31-1Pyrrolidine, 2-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methyl-, [R-(R*,S*)]-Benzopyrene Impurity 17 (9-Methoxybenzo[a]pyrene)Pyrrolidine, 2-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methyl-, [R-(R*,S*)]- (9CI)
Database identifiers
- CAS
61826-31-1- PubChem CID
- 40467131
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 376
Chemistry & industry
Suppliers3 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京斯泰尔医药科技有限公司025-86711996 18351956221 · [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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