Basic information
- CAS
64169-57-9- Standard SMILES
CN(C)CCCC1(c2ccc(Cl)cc2)OCc2cc(C#N)ccc21- InChIKey
HYIJPACNNYCMRP-UHFFFAOYSA-N- Molecular formula
- C20H21ClN2O
- Average molar mass
- 340.8 g/mol
- Monoisotopic mass
- 340.134241
Names & identifiers
- Preferred name
- Chlorocitalopram
- IUPAC
- 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrile
- English name
- Chlorocitalopram
- Molecular formula
- C20H21ClN2O
- Molecular weight
- 340.85
Names & synonyms
Chlorocitalopram64169-57-91-(4-CHLOROPHENYL)-1-[3-(DIMETHYLAMINO)PROPYL]-3H-2-BENZOFURAN-5-CARBONITRILE1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrileSCHEMBL141607DTXSID20494821DB-237783Diethylstilbestrol Impurity 21-(4-CHLORO-PHENYL)-1-(3-DIMETHYLAMINO-PROPYL)-1,3-DIHYDRO-ISOBENZOFURAN-5-CARBONITRILE5-Isobenzofurancarbonitrile, 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-
Database identifiers
- CAS
64169-57-9- PubChem CID
- 12371058
- DTXSID
DTXSID20494821- Nikkaji
- J1.223.751K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
Physicochemical properties
- solubility
- Chloroform, Methanol
- form
- Syrup
- color
- A Yellow
Chemistry & industry
Applications
UsesAn internal standard of Citalopram, an inhibitor of serotonin (5-HT) uptake.
Suppliers7 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…