Basic information
- CAS
132-38-7- Standard SMILES
CC(=O)Nc1cc2c(O)c(N=Nc3ccc(S(N)(=O)=O)cc3)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O- InChIKey
RALNLQYPLYWQRT-UHFFFAOYSA-N- Molecular formula
- C18H16N4O10S3
- Average molar mass
- 544.5 g/mol
- Monoisotopic mass
- 544.00285624
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 6-(Acetylamino)-3-(2-(4-(aminosulfonyl)phenyl)diazenyl)-4-hydroxy-2,7-naphthalenedisulfonic acid
- IUPAC
- 6-acetamido-4-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]naphthalene-2,7-disulfonic acid
- English name
- neoprontosil
- Molecular formula
- C18H16N4O10S3
- Molecular weight
- 544.54
Names & synonyms
Neoprontosil132-38-7DTXSID00745006-(Acetylamino)-3-((4-(aminosulfonyl)phenyl)azo)-4-hydroxy-2,7-naphthalenedisulfonic acidRefChem:913788DTXCID90340746-(Acetylamino)-3-(2-(4-(aminosulfonyl)phenyl)diazenyl)-4-hydroxy-2,7-naphthalenedisulfonic acidAZOSULFAMIDEPRONTOCILCHEMBL2372516-acetamido-4-hydroxy-3-[(4-sulfamoylphenyl)diazenyl]naphthalene-2,7-disulfonic acidNeoprontosil, disodium salt
Show more names
NeoprontsilProntosil II6-Acetylamino-3-[[4-(aminosulfonyl)phenyl]azo]-4-hydroxy-2,7-naphthalenedisulfonic acid6-(Acetylamino)-3-[[4-(aminosulfonyl)phenyl]azo]-4-hydroxy-2,7-naphthalenedisulfonic acid2,7-Naphthalenedisulfonic acid, 6-(acetylamino)-3-((4-(aminosulfonyl)phenyl)azo)-4-hydroxy-2,7-Naphthalenedisulfonic acid, 6-(acetylamino)-3-[2-[4-(aminosulfonyl)phenyl]diazenyl]-4-hydroxy-
6-acetamido-4-hydroxy-3-((4-sulfamoylphenyl)diazenyl)naphthalene-2,7-disulfonic acidAABSSNSCHEMBL29420381SCHEMBL30174544BDBM502214066-acetylamino-4-hydroxy-3-(4-sulfamoyl-phenylazo)-naphthalene-2,7-disulfonic acid6-acetamido-4-hydroxy-3-[(E)-(4-sulfamoylphenyl)azo]naphthalene-2,7-disulfonic acid7-(Acetamide-2-azo-(4'-bencensulphamidyl)-3,l6-di-sodium sulphonatyl-1-naphtol
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 268 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,130
Physicochemical properties
- Density
- 1.83 · 1.83±0.1 g/cm3(Predicted)
- pka
- 0 · -0+-.0.40(Predicted)
- EPA Substance Registry System
- Neoprontosil (132-38-7)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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