Basic information
- CAS
82114-19-0- Standard SMILES
Nc1c(-c2cccc(C(F)(F)F)c2)nsc1C(=O)O- InChIKey
KVMCEGAWQYTFKC-UHFFFAOYSA-N- Molecular formula
- C11H7F3N2O2S
- Average molar mass
- 288.25 g/mol
- Monoisotopic mass
- 288.01803312
Overview
Amflutizole is a small molecule drug. Amflutizole has a monoisotopic molecular weight of 288.02 Da.
Names & identifiers
- Preferred name
- Amflutizole
- IUPAC
- 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid
- English name
- amflutizole
- Molecular formula
- C11H7F3N2O2S
- Molecular weight
- 288.25
Names & synonyms
AMFLUTIZOLE82114-19-0AmflutizolAmflutizolumLY 1418945-Isothiazolecarboxylic acid, 4-amino-3-(3-(trifluoromethyl)phenyl)-LY-14189483N680M457DTXSID00868642RefChem:915665DTXCID108167304-amino-3-(3-(trifluoromethyl)phenyl)-5-isothiazole carboxylic acid
Show more names
amflutizole, 10 mM in DMSO4-Amino-3-(3-trifluoromethylphenyl)-5-isothiazolecarboxylic acid5-Isothiazolecarboxylic acid, 4-amino-3-[3-(trifluoromethyl)phenyl]-
4-Amino-3-(3-(trifluoromethyl)phenyl)isothiazole-5-carboxylic acid4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid5-Isothiazolecarboxylicacid, 4-amino-3-[3-(trifluoromethyl)phenyl]-Amflutizol [Spanish]Amflutizolum [Latin]Amflutizole [USAN:INN]4-amino-3-[3-(trifluoromethyl)phenyl]isothiazole-5-carboxylic acidUNII-83N680M457
Database identifiers
- CAS
82114-19-0- PubChem CID
- 54833
- DTXSID
DTXSID00868642
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 332.6 · 332.6±42.0 °C(Predicted)
- Density
- 1.551 · 1.551±0.06 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.30(Predicted)
- FDA UNII
- 83 N680M457 · 83N680M457
Chemistry & industry
Applications
UsesSuppressant (gout).
Upstream & downstream products
Upstream raw materials
Suppliers8 total
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
3 records
Compound notes
Loading…