Basic information
- CAS
6483-83-6- Standard SMILES
CC(=O)Nc1ccc(NC(=O)Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)cc1- InChIKey
ZVUFRADFUYQPMB-UHFFFAOYSA-N- Molecular formula
- C19H17N3O6S
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 415.08380644
Names & identifiers
- Preferred name
- 7-((((4-Acetamidophenyl)amino)carbonyl)amino)-4-hydroxynaphthalene-2-sulphonic acid
- IUPAC
- 7-[(4-acetamidophenyl)carbamoylamino]-4-hydroxynaphthalene-2-sulfonic acid
- English name
- 7-[[[[4-acetamidophenyl]amino]carbonyl]amino]-4-hydroxynaphthalene-2-sulphonic acid
- Molecular formula
- C19H17N3O6S
- Molecular weight
- 415.42
Names & synonyms
6483-83-67-((((4-Acetamidophenyl)amino)carbonyl)amino)-4-hydroxynaphthalene-2-sulphonic acid7-[(4-acetamidophenyl)carbamoylamino]-4-hydroxynaphthalene-2-sulfonic acidEINECS 229-345-7JJF8C8LEY67-{[(4-acetamidophenyl)carbamoyl]amino}-4-hydroxynaphthalene-2-sulfonic acidDTXSID10215128ZVUFRADFUYQPMB-UHFFFAOYSA-N2-Naphthalenesulfonic acid, 7-[[[[4-(acetylamino)phenyl]amino]carbonyl]amino]-4-hydroxy-NS000357527-((((4-Acetamidophenyl)amino)carbonyl)amino)-4-hydroxynaphthalene-2-sulfonic acid7-[[[[4-(Acetylamino)phenyl]amino]carbonyl]amino]-4-hydroxy-2-naphthalenesulfonic acid
Show more names
N-(4-Acetaminophenyl-N'-(5-hydroxy-7-sulfo-2-naphthyl)urea7-(3-(4-acetamidophenyl)ureido)-4-hydroxynaphthalene-2-sulfonic acid1-Hydroxy-6-[3-(4-acetylaminophenyl)ureido]-3-naphthalenesulfonic acid7-[[[[4-acetamidophenyl]amino]carbonyl]amino]-4-hydroxynaphthalene-2-sulphonic acid
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 701
Physicochemical properties
- Density
- 1.608 · 1.608±0.06 g/cm3(Predicted)
- pka
- 0.13 · 0.13±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
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Related reactions
0 records
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Compound notes
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