Basic information
- CAS
6968-33-8- Standard SMILES
Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O- InChIKey
COXVTLYNGOIATD-UHFFFAOYSA-N- Molecular formula
- C34H28N6O14S4
- Average molar mass
- 872.9 g/mol
- Monoisotopic mass
- 872.05463428
Overview
Evans blue free acid is a naphthalenesulfonic acid that is the free acid form of the dye Evans blue. The tetrasodium salt is used as a counterstain, especially in fluorescent methods to suppress background autofluorescence. It has a role as a sodium channel blocker and a teratogenic agent. It is a member of azobenzenes, a member of biphenyls, a member of naphthols, a naphthalenesulfonic acid, an aminonaphthalene, a bis(azo) compound and a primary arylamine. It is a conjugate acid of an Evans blue(4-).
Names & identifiers
- Preferred name
- 6,6'-[(3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[4-amino-5-hydroxy-1,3-naphthalenedisulfonic acid]
- IUPAC
- 4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid
Names & synonyms
6968-33-86,6'-((3,3'-Dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(4-amino-5-hydroxy-1,3-naphthalenedisulfonic acid)6,6'-[(3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[4-amino-5-hydroxy-1,3-naphthalenedisulfonic acid]RefChem:199023Evans blue free acidAzovan BlueNSC-65849D56DN867MVUNII-D56DN867MVEvans Blue (Tetrasodium salt)NSC65849Diazobleu
Show more names
EvablinNSC 65849C.I. Direct Blue 53 (Tetrasodium salt)Diamine Sky Blue FFNSC86801,3-Naphthalenedisulfonic acid, 6,6'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(4-amino-5-hydroxy-4-azanyl-6-[[4-[4-[(~{E})-(8-azanyl-1-oxidanyl-5,7-disulfo-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-1,3-disulfonic acidNSC 8680
Database identifiers
- CAS
6968-33-8- PubChem CID
- 3315
- DTXSID
DTXSID1048253- ChEMBL
CHEMBL1015、CHEMBL1607905- ChEBI
CHEBI:87634- UNII
- D56DN867MV
- Nikkaji
- J529.689G
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 393 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 9
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,840
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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