Basic information
- CAS
57410-31-8- Standard SMILES
O=C(O)CC1c2cc(Cl)ccc2C(=O)NN1c1ccc2snnc2c1- InChIKey
YKRGBMIQMLLNND-UHFFFAOYSA-N- Molecular formula
- C16H11ClN4O3S
- Average molar mass
- 374.8 g/mol
- Monoisotopic mass
- 374.0240391
Overview
structure given in first source
Names & identifiers
- Preferred name
- Bts 39542
- IUPAC
- 2-[2-(1,2,3-benzothiadiazol-5-yl)-7-chloro-4-oxo-1,3-dihydrophthalazin-1-yl]acetic acid
- English name
- BTS 39542
- Molecular weight
- 0
Names & synonyms
Bts 3954257410-31-81-Phthalazineacetic acid, 2-(1,2,3-benzothiadiazol-5-yl)-7-chloro-1,2,3,4-tetrahydro-4-oxo-RefChem:1217922-[2-(1,2,3-benzothiadiazol-5-yl)-7-chloro-4-oxo-1,3-dihydrophthalazin-1-yl]acetic acid2-(1,2,3-Benzothiadiazol-5-yl)-7-chloro-4-hydroxy-1,2-dihydrophthalazin-1-ylacetic acidBTS-39542orb1698021SCHEMBL11603375DTXSID10972901AKOS040750924HY-126038
Show more names
2-(1,2,3-Benzothiadiazol-5-yl)-7-chloro-1,2,3,4-tetrahydro-4-oxo-1-phthalazineacetic acid
T30602[2-(1,2,3-Benzothiadiazol-5-yl)-7-chloro-4-hydroxy-1,2-dihydrophthalazin-1-yl]acetic acid
Database identifiers
- CAS
57410-31-8- PubChem CID
- 189166
- DTXSID
DTXSID10972901- Nikkaji
- J22.704H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 553
Chemistry & industry
Applications
DescriptionBts 39542 is a diuretic. The ratio of the excretion of the major cations (sodium plus potassium) to that of the major anion (chloride) after BTS 39542 varied with species. In dogs, Bts 39542 exerts its major effects in the loop of Henle and increases renal blood flow but does not affect glomerular filtration rate.
UsesBTS 39542 is an orally active inhibitor for Na+ K+ Cl cotransport system, that exhibits diuretic activity, and can be used in hypertension and edema research[1].
Suppliers2 total
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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…