Basic information
- Standard SMILES
Br.CN(C)CCCC1(c2ccc(Cl)cc2)OCc2cc(C#N)ccc21- InChIKey
UPXZASLAWCVOQT-UHFFFAOYSA-N- Molecular formula
- C20H22BrClN2O
- Average molar mass
- 421.8 g/mol
- Monoisotopic mass
- 420.0604031
Names & identifiers
- Preferred name
- Chlorocitalopram, Hydrobromide
- IUPAC
- 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide
- English name
- Chlorocitalopram, Hydrobromide
- Molecular formula
- C20H22BrClN2O
- Molecular weight
- 421.75848
Names & synonyms
Chlorocitalopram, Hydrobromide64169-58-01-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromideCHLOROCITALOPRAM HYDROBROMIDEUPXZASLAWCVOQT-UHFFFAOYSA-NC20H22BrClN2Oorb1740531DTXSID80494822MFCD09836198T689491-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-3H-isobenzofuran-5-carbonitrile;hydrobromide1-(4-Chlorophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile--hydrogen bromide (1/1)
Show more names
1-(4-Chlorophenyl)-1-[3-(dimethylamino)propyl)-1,3-dihydro-5-isobenzofuran-5-carbonitrile hydrobromide1-(4-Chlorophenyl)-1-[3-(dimethylamino)propyl)-1,3-dihydro-5-isobenzofuran-5-carbonitrile, Hydrobromid
Database identifiers
- CAS
64169-58-0- PubChem CID
- 12371059
- DTXSID
DTXSID80494822
Properties
Computed structural properties
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 466
Physicochemical properties
- Melting point
- 87 · 87-89°C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Orange
- Stability
- Hygroscopic
Chemistry & industry
Applications
UsesAn internal standard of Citalopram, an inhibitor of serotonin (5-HT) uptake.
Suppliers11 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
Related reactions
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