Basic information
- CAS
22203-98-1- Standard SMILES
O=C(Nc1cccc(Cl)c1)c1cc(Cl)ccc1O- InChIKey
NXDGLRGDIKDWIF-UHFFFAOYSA-N- Molecular formula
- C13H9Cl2NO2
- Average molar mass
- 282.12 g/mol
- Monoisotopic mass
- 281.0010339
Names & identifiers
- Preferred name
- 3',5-Dichlorosalicylanilide
- IUPAC
- 5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide
- English name
- 5-chloro-N-(3-chlorophenyl)-2-hydroxy-benzamide
- Molecular formula
- C13H9Cl2NO2
- Molecular weight
- 282.12
Names & synonyms
22203-98-13',5-DICHLOROSALICYLANILIDEL9HQV0JFNHUNII-L9HQV0JFNHBenzamide, 5-chloro-N-(3-chlorophenyl)-2-hydroxy-NSC-50643DTXSID801767525,3'-DICHLOROSALICYLANILIDENSC 50643SALICYLANILIDE, 3',5-DICHLORO-RefChem:90267DTXCID4099243
Show more names
SARS-CoV-2-IN-14, 10 mM in DMSO
5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamideSARS-CoV-2-IN-14Benzamide,5-chloro-N-(3-chlorophenyl)-2-hydroxy-5-CHLORO-N-(3-CHLOROPHENYL)-2-HYDROXY-BENZAMIDECHEMBL2088011NSC50643orb1689487SCHEMBL11932152
Database identifiers
- CAS
22203-98-1- PubChem CID
- 20196
- DTXSID
DTXSID80176752- ChEMBL
CHEMBL2088011- UNII
- L9HQV0JFNH
- Nikkaji
- J2.331.052J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- form
- Solid
- color
- White to off-white
- FDA UNII
- 9 HQV0JFNH · L9HQV0JFNH
Chemistry & industry
Applications
UsesSARS-CoV-2-IN-14 (compound 6) is a potent inhibitor of SARS-CoV-2 with an IC50 of 0.39 μM. SARS-CoV-2-IN-14 is a niclosamide analogue. SARS-CoV-2-IN-14 contains higher stability in human plasma and liver S9 enzymes assay than niclosamide, which can improve bioavailability and half-life when administered orally[1].
Suppliers17 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
Shenzhen Excellent Biotech Co., Ltd.13480692018 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
Related reactions
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Compound notes
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