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Salicyluric acid

Salicyluric acid structure

CAS No:
487-54-7
Formula:
C9H9NO4
Chemical Name:
Salicyluric acid
Synonyms:
Glycine,N-(2-hydroxybenzoyl)-;Salicyluric acid;Hippuric acid,o-hydroxy-;N-(2-Hydroxybenzoyl)glycine;o-Hydroxyhippuric acid;(2-Hydroxybenzoyl)glycine;N-Salicyloylglycine;Salicyloylglycine;N-(o-Hydroxybenzoyl)glycine;2-Hydroxyhippuric acid;NSC 524135;2-[(2-Hydroxyphenyl)formamido]acetic acid;2-(2-Hydroxybenzamido)acetic acid;857017-98-2
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Light gray crystalline powder

Solid

Salicyluric 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 derives from a glycine. It is a conjugate acid of a salicylurate.

Salicyluric acid Basic Attributes

Molecular Weight：

195.17200

Exact Mass：

195.17

EC Number：

207-661-6

UNII：

5BR3P7J05U

NSC Number：

524135|87566

DSSTox ID：

DTXSID70197592

HScode：

2924299090

Characteristics

PSA：

86.63000

XLogP3：

0.59750

Appearance：

Solid

Density：

1.401 g/cm3

Melting Point：

168 °C

Boiling Point：

489.8ºC at 760 mmHg

Flash Point：

250ºC

Storage Conditions：

Store at 0ºC

Vapor Pressure：

2.08E-10mmHg at 25°C

Collision Cross Section：

133.01 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|154.87 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|138.02 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|137.5 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

36/37/38

safety instructions：

S24/25

RTECS Number：

MR8160000

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

Drug Information

MeSH Entry Terms：

2-hydroxybenzoylglycine

Salicyluric acid Use and Manufacturing

Metabolite of Salicylic Acid (S088125).

Computed Properties

Molecular Weight:195.17
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:195.05315777
Monoisotopic Mass:195.05315777
Topological Polar Surface Area:86.6
Heavy Atom Count:14
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes