2-(2-Tritylamino-4-thiazolyl)glyoxylic Acid - CAS 68363-44-0
Catalog: |
BB057016 |
Product Name: |
2-(2-Tritylamino-4-thiazolyl)glyoxylic Acid |
CAS: |
68363-44-0 |
Synonyms: |
2-[(2-Tritylamino)thiazol-4-yl]-2-oxoacetic Acid; α-Oxo-2-[(triphenylmethyl)amino]-4-thiazoleacetic Acid |
IUPAC Name: | 2-oxo-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid |
Description: | 2-(2-Tritylamino-4-thiazolyl)glyoxylic Acid was used to prepare and stuyd the antibacterial activity of acetohydroxamoylethyliminoacetylcephalosporins. |
Molecular Weight: | 414.48 |
Molecular Formula: | C24H18N2O3S |
Canonical SMILES: | C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=CS4)C(=O)C(=O)O |
InChI: | InChI=1S/C24H18N2O3S/c27-21(22(28)29)20-16-30-23(25-20)26-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H,25,26)(H,28,29) |
InChI Key: | ALTFIMDUFNNVBD-UHFFFAOYSA-N |
References: | Kim, M., et al. BIoorg. Med. Chem. Lett., 6, 2077 (1996). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111620893-A | C-3 tetrahydrofuran substituted cephalosporin-siderophore coupling compound and preparation method and application thereof | 20200608 |
CN-111620893-B | C-3 tetrahydrofuran substituted cephalosporin-siderophore coupling compound and preparation method and application thereof | 20200608 |
WO-2019020810-A1 | CRYSTALLINE FORM OF (2S) -2 - [[(Z) - [- 1- (2-AMINO-4-THIAZOLYL) -2 - [[(3S) -2,2-DIMETHYL-4-OXO] -Acid 1- (SULFOOXY) -3-AZETIDINYL] AMINO] -2-OXOETHYLIDENE] AMINO] OXY] -3- [4- [IMINO [(3R) -3-PIPERIDINYLAMINO] METHYL] PHENOXY] -PROPANOIC | 20170728 |
US-2014275007-A1 | Oxamazin antibiotics | 20130314 |
WO-2014164526-A1 | Oxamazin antibiotics | 20130313 |
EP-2806873-A1 | Amidine substituted beta - lactam compounds, their preparation and use as antibacterial agents | 20120124 |
EP-2806873-B1 | Amidine substituted beta-lactam compounds, their preparation and use as antibacterial agents | 20120124 |
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Complexity: | 550 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 414.10381361 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 414.10381361 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 108Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.7 |
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