Basic information
- CAS
51287-57-1- Standard SMILES
Cc1nsc(NC(=O)c2ccccc2)c1C(=O)Nc1ccc(Cl)cc1- InChIKey
ZPBLNADJHWHOEP-UHFFFAOYSA-N- Molecular formula
- C18H14ClN3O2S
- Average molar mass
- 371.8 g/mol
- Monoisotopic mass
- 371.0495256
Overview
Denotivir is a small molecule drug. The usage of the INN stem '-vir' in the name indicates that Denotivir is a antiviral. Denotivir has a monoisotopic molecular weight of 371.05 Da.
Names & identifiers
- Preferred name
- 5-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide
- IUPAC
- 5-benzamido-N-(4-chlorophenyl)-3-methyl-1,2-thiazole-4-carboxamide
- English name
- 5-(benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide
- Molecular formula
- C18H14ClN3O2S
- Molecular weight
- 371.84
Names & synonyms
Denotivir51287-57-1ITCLPolvir5-benzamido-N-(4-chlorophenyl)-3-methyl-1,2-thiazole-4-carboxamideW656S9I00WDTXSID701992785-(Benzoylamino)-N-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamideBACPMIRefChem:131872DTXCID00121769Wratizolin
Show more names
T-15【ITCL】N-(p-Chlorophenyl)-5-benzoylamino-3-methyl-4-isothiazolecarboxamide4-Isothiazolecarboxamide, 5-(benzoylamino)-N-(4-chlorophenyl)-3-methyl-
VratizolinDenotivir [INN]Vratizolin; WratizolinDenotivir (INN)5-Benzamido-4'-chloro-3-methyl-4-isothiazolecarboxanilide5-Benzamido-N-(4-chlorophenyl)-3-methylisothiazole-4-carboxamideVratizolinumUNII-W656S9I00W
Database identifiers
- CAS
51287-57-1- PubChem CID
- 39976
- DTXSID
DTXSID70199278- ChEMBL
CHEMBL2104203
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Boiling point
- 360 · 360.0±42.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- pka
- 11.14 · 11.14±0.70(Predicted)
- FDA UNII
- 656 S9I00W · W656S9I00W
Chemistry & industry
Applications
UsesDenotivir (Vratizolin) is an orally active antiviral agent for herpes simplex virus (HSV) and varicella-zoster virus (VZV). Denotivir inhibits the proliferation of various cancer cells, and exhibits anti-leukemic activity. Denotivir inhibits the generation of TNF-α, IL-1 and IL-6, exhibits immunosuppressive efficacy[1].
Suppliers4 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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