C.I. Acid brown 14, disodium salt (CHEM062982)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 08:42:59 UTC | ||||||||
| Update Date | 2026-04-03 08:42:59 UTC | ||||||||
| Accession Number | CHEM062982 | ||||||||
| Identification | |||||||||
| Common Name | C.I. Acid brown 14, disodium salt | ||||||||
| Class | Small Molecule | ||||||||
| Description | C.I. Acid brown 14, disodium salt belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is categorized under the superclass of benzenoids and has the chemical formula C26H18N4O8S2. With an average molecular weight of 622.53 g/mol, C.I. Acid brown 14, disodium salt is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms |
| ||||||||
| Chemical Formula | C26H18N4O8S2 | ||||||||
| Average Molecular Mass | 622.530 g/mol | ||||||||
| Monoisotopic Mass | 578.057 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [Na+].[Na+].OC1=C(N=NC2=C3C=CC=CC3=C(C=C2)S([O-])(=O)=O)C(O)=C(C=C1)N=NC1=CC=C(C2=C1C=CC=C2)S([O-])(=O)=O | ||||||||
| InChI Identifier | InChI=1S/C26H18N4O8S2/c31-22-12-9-21(29-27-19-10-13-23(39(33,34)35)17-7-3-1-5-15(17)19)26(32)25(22)30-28-20-11-14-24(40(36,37)38)18-8-4-2-6-16(18)20/h1-14,27-28H,(H,33,34,35)(H,36,37,38)/b29-21+,30-25+ | ||||||||
| InChI Key | NMZNGCLVMMUXIC-ZQGAZYNISA-L | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Benzenoids | ||||||||
| Class | Naphthalenes | ||||||||
| Sub Class | Naphthalene sulfonic acids and derivatives | ||||||||
| Direct Parent | 1-naphthalene sulfonates | ||||||||
| Alternative Parents | |||||||||
| Substituents |
| ||||||||
| Molecular Framework | Aromatic homopolycyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 9570209 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
