Basic information
- CAS
149440-01-7- Standard SMILES
COc1cc(S(=O)(=O)O)c(C)cc1N=Nc1c(O)ccc2cc(S(=O)(=O)O)ccc12- InChIKey
UQWIHFJXDRNUDP-UHFFFAOYSA-N- Molecular formula
- C18H16N2O8S2
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.03480782
Overview
See also: FD&C Red No. 40 (annotation moved to).
Names & identifiers
- Preferred name
- 6-Hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-2-naphthalenesulfonic acid
- IUPAC
- 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
149440-01-76-Hydroxy-5-(2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl)-2-naphthalenesulfonic acid6-Hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-2-naphthalenesulfonic acidRefChem:199091TJP6T3TJP4UNII-TJP6T3TJP4Curry redRed No. 40FD&C Red No. 40FD and C Red No. 40FD & C Red no. 402-Naphthalenesulfonic acid, 6-hydroxy-5-(2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl)-
Show more names
6-Hydroxy-5-((2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl)naphthalene-2-sulfonic acid2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-6-Hydroxy-5-[(2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonic acidFD&C Red No. 40 parentSCHEMBL456885SCHEMBL456886SCHEMBL5471076SCHEMBL5471082
Database identifiers
- CAS
149440-01-7- PubChem CID
- 33259
- DTXSID
DTXSID1044302- ChEMBL
CHEMBL1206007、CHEMBL1900089、CHEMBL3306829- UNII
- TJP6T3TJP4
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 835
Experimental & physicochemical properties
CosmeticsHair dyeing
Collision Cross Section214.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4024436]
Chemistry & industry
Uses & manufacturing
Use Classification
Food Additives -> COLOUR -> JECFA Functional Classes
Cosmetics -> Hair dyeing
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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