Basic information
- CAS
39295-60-8- Standard SMILES
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC- InChIKey
OLGCJTRSPFQVOV-UHFFFAOYSA-N- Molecular formula
- C26H32N8O7S
- Average molar mass
- 600.6 g/mol
- Monoisotopic mass
- 600.21146656
Names & identifiers
- Preferred name
- Benzenesulfonamide, 4-amino-N-(5,6-dimethoxy-4-pyrimidinyl)-, mixt. with 5-((3,4,5-trimethoxyphenyl)methyl)-2,4-pyrimidinediamine
- IUPAC
- 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
- English name
- Borgal
- Molecular formula
- C26H32N8O7S
- Molecular weight
- 600.65
Names & synonyms
39295-60-8DTXSID00192535Benzenesulfonamide, 4-amino-N-(5,6-dimethoxy-4-pyrimidinyl)-, mixt. with 5-((3,4,5-trimethoxyphenyl)methyl)-2,4-pyrimidinediamineRefChem:1078654DTXCID40115026TridoxineBorgalTrimethoprim-sulfadoxineTrimethoprim - sulfadoxineRo 6-2153SULFADOXINE & TMPSulfadoxine & Trimethoprim
Show more names
SCHEMBL29674736Trimethoprim-sulfadoxine drug combination4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamineTrimethoprim, sulfadoxine drug combinationNS000787574-Amino-N-(5,6-dimethoxypyrimidin-4-yl)benzene-1-sulfonamide--5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (1/1)
Database identifiers
- CAS
39295-60-8- PubChem CID
- 64933
- DTXSID
DTXSID00192535
Properties
Computed structural properties
- Topological polar surface area
- 230 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 726
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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