CAS 68363-44-0 (2-Triphenylmethylamino-4-thiazolyl)glyoxylic acid (HCID 11133448)

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Basic information

CAS: 68363-44-0
Standard SMILES: O=C(O)C(=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIKey: ALTFIMDUFNNVBD-UHFFFAOYSA-N
Molecular formula: C24H18N2O3S
Average molar mass: 414.5 g/mol
Monoisotopic mass: 414.10381344

Names & identifiers

Preferred name: (2-Triphenylmethylamino-4-thiazolyl)glyoxylic acid
IUPAC: 2-oxo-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
English name: 2-(2-((2-benzhydrylphenyl)amino)thiazol-4-yl)-2-oxoacetic acid
Molecular formula: C24H18N2O3S
Molecular weight: 414.48

Names & synonyms

(2-triphenylmethylamino-4-thiazolyl)glyoxylic acidRefChem:396264810-542-768363-44-02-oxo-2-(2-(tritylamino)thiazol-4-yl)acetic acid2-oxo-2-{2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl}acetic acid2-oxo-2-[2-(tritylamino)thiazol-4-yl]acetic acid(2-tritylaminothiazol-4-yl)glyoxylic acid2-oxo-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic Acid2-(2-tritylamino-4-thiazolyl)glyoxylic acid2-(2-((2-benzhydrylphenyl)amino)thiazol-4-yl)-2-oxoacetic acidBAL30072 Impurity 3

Show more names

BAL30072 Impurity2-((2-Tritylamino)thiazol-4-yl)-2-oxaacetic acid4-Thiazoleacetic acid, α-oxo-2-[(triphenylmethyl)amino]-

2-[(2-Tritylamino)thiazol-4-yl]-2-oxoacetic acidSCHEMBL1687049DTXSID50456412ALTFIMDUFNNVBD-UHFFFAOYSA-NMFCD20528112WS-01237DS-0164662-(2-tritylaminothiazol-4-yl)glyoxalic acid

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 108 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 550

Physicochemical properties

Boiling point: 614.113 · 614.113±65.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.357 · 1.357±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 1.822 · 1.822±0.54(predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H302-H315-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H302-H315-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

Uses2-(2-Tritylamino-4-thiazolyl)glyoxylic Acid was used to prepare and stuyd the antibacterial activity of acetohydroxamoylethyliminoacetylcephalosporins.