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Basic information
- CAS
487-54-7- Standard SMILES
O=C(O)CNC(=O)c1ccccc1O- InChIKey
ONJSZLXSECQROL-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- Salicyluric Acid
- IUPAC
- 2-[(2-hydroxybenzoyl)amino]acetic acid
- English name
- Salicyluric acid
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
Salicyluric acid487-54-7SalicylurateSalicyloylglycineN-Salicyloylglycineo-Hydroxyhippuric acidN-(2-Hydroxybenzoyl)glycine2-Hydroxybenzoylglycine2-[(2-hydroxybenzoyl)amino]acetic acid2-[(2-hydroxyphenyl)formamido]acetic acidN-(2-Hydroxybenzoyl)-glycineNSC-87566
Show more names
2-HYDROXYHIPPURIC ACIDNSC 524135SALICYLGYCINESALICYLGLYCINEsalicyluricaciTIMTEC-BB SBB000337NSC 524135-13C2,15N
5BR3P7J05UDTXSID70197592NSC-524135CHEBI:90082-((2-hydroxybenzoyl)amino)acetic acidCHEBI:1329232-((2-hydroxyphenyl)formamido)acetic acidN-(o-hydroxybenzoyl)glycine
Database identifiers
- CAS
487-54-7- PubChem CID
- 10253
- DTXSID
DTXSID70197592- ChEMBL
CHEMBL586- ChEBI
CHEBI:9008- UNII
- 5BR3P7J05U
- EC Number
- 207-661-6
- Nikkaji
- J54.010B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 164 · 164-169 °C
- Boiling point
- 331.83 °C · 331.83°C (rough estimate)
- Density
- 1.3544 · 1.3544 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- 0 °C · Store at 0°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Powder, Crystals or Chunks
- pka
- 3.68 · 3.68±0.10(Predicted)
- color
- White to light yellow
- Stability
- Hygroscopic
- Major Application
- pharmaceutical
- InChI
- InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
- InChIKey
- ONJSZLXSECQROL-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CNC(=O)C1=CC=CC=C1O
- CAS DataBase Reference
- 487 · 487-54-7(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- rtecs
- MR8160000
- hs_code
- 29242998
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-36/37/39-27-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
DescriptionSalicyluric acid is an N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl. It has a role as a uremic toxin and a human xenobiotic metabolite. It is a N-acylglycine and a secondary carboxamide. It is functionally related to a glycine. It is a conjugate acid of a salicylurate.
UsesMetabolite of Salicylic Acid (S088125). 2-Hydroxyhippuric acid is a phenol marker. Can be associated with dietary intake or bacterial overgrowth. Indicators of Detoxification: A conjugate of the amino acid glycine and hydroxybenzoic acid (salicylic acid). Intake of aspirin (salicylates) or the growth of salicylate-producing gastrointestinal bacteria may elevate levels. Also increased after the ingestion of the artificial sweetener aspartame (Nutrasweet).
Upstream & downstream products
Upstream raw materials
Suppliers61 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
南京胜凯医药科技有限公司025-86182925 17749516701 · [email protected]
广州蓝宁生物科技有限公司15813355568 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
Related reactions
6 records
Compound notes
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