Brocrinat
Basic information
- CAS
72481-99-3- Standard SMILES
O=C(O)COc1ccc2c(-c3ccccc3F)noc2c1Br- InChIKey
QWOLGQYXAQSNAE-UHFFFAOYSA-N- Molecular formula
- C15H9BrFNO4
- Average molar mass
- 366.14 g/mol
- Monoisotopic mass
- 364.9699
Overview
Brocrinat is a small molecule drug. Brocrinat has a monoisotopic molecular weight of 364.97 Da.
Names & identifiers
- Preferred name
- Brocrinat
- IUPAC
- 2-[[7-bromo-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
- English name
- Brocrinat
- Molecular formula
- C15H9BrFNO4
- Molecular weight
- 366.14
Names & synonyms
BROCRINAT72481-99-3BrocrinateBrocrinatumHP 522HP-522HP 35226ESF2Z39VZAcetic acid, ((7-bromo-3-(2-fluorophenyl)-1,2-benzisoxazol-6-yl)oxy)-HP-3522P 78 3522DTXSID70222777
Show more names
Halocrinic acid[[7-Bromo-3-(2-fluorophenyl)-1,2-benzisoxazol-6-yl]oxy]acetic acidAcetic acid, 2-[[7-bromo-3-(2-fluorophenyl)-1,2-benzisoxazol-6-yl]oxy]-
P-783522RefChem:917586DTXCID001452682-[[7-bromo-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acidAcido halocrinicoAcide halocriniqueAcidum halocrinicumBrocrinate [French]
Database identifiers
- CAS
72481-99-3- PubChem CID
- 51603
- DTXSID
DTXSID70222777- ChEMBL
CHEMBL343565- UNII
- 6ESF2Z39VZ
- Nikkaji
- J22.647E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- FDA UNII
- 6 ESF2Z39VZ · 6ESF2Z39VZ
Chemistry & industry
Applications
UsesDiuretic.
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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