Basic information
- CAS
21492-45-5- Standard SMILES
COc1ccccc1OC1CCN(CCCC(=O)c2ccc(F)cc2)C1.Cl- InChIKey
VLXVGMDGBFTXOW-UHFFFAOYSA-N- Molecular formula
- C21H25ClFNO3
- Average molar mass
- 393.9 g/mol
- Monoisotopic mass
- 393.1506995
Names & identifiers
- Preferred name
- AHR-1900 hydrochloride
- IUPAC
- 1-(4-fluorophenyl)-4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butan-1-one;hydrochloride
Names & synonyms
21492-45-5AHR-1900 hydrochlorideKRS9VEH7W54'-Fluoro-4-(3-(2-methoxyphenoxy)-1-pyrrolidinyl)butyrophenone hydrochlorideUNII-KRS9VEH7W5BUTYROPHENONE, 4'-FLUORO-4-(3-(2-METHOXYPHENOXY)-1-PYRROLIDINYL)-, HYDROCHLORIDE4'-FLUORO-4-(3-(O-METHOXYPHENOXY)-1-PYRROLIDINYL)BUTYROPHENONE HYDROCHLORIDE1-BUTANONE, 1-(4-FLUOROPHENYL)-4-(3-(2-METHOXYPHENOXY)-1-PYRROLIDINYL)-, HYDROCHLORIDE (1:1)RefChem:1993991-(4-fluorophenyl)-4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butan-1-one;hydrochlorideorb1698655DTXSID40944095
Show more names
AKOS040750221AHR-1900 hydrochloride, AHR-1900 HClT297501-(4-Fluorophenyl)-4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
21492-45-5- PubChem CID
- 30665
- DTXSID
DTXSID40944095- UNII
- KRS9VEH7W5
Properties
Computed structural properties
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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