2-(2-Aminothiazole-4-yl)-2-methoxyiminoacetic acid - CAS 65872-41-5
Catalog: |
BB032841 |
Product Name: |
2-(2-Aminothiazole-4-yl)-2-methoxyiminoacetic acid |
CAS: |
65872-41-5 |
Synonyms: |
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid |
IUPAC Name: | (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid |
Description: | 2-Amino-α-(methoxyimino)-4-thiazoleacetic acid, predominantly syn (CAS# 65872-41-5) is an intermediate in the preparation of Cephem compounds. |
Molecular Weight: | 201.20 |
Molecular Formula: | C6H7N3O3S |
Canonical SMILES: | CON=C(C1=CSC(=N1)N)C(=O)O |
InChI: | InChI=1S/C6H7N3O3S/c1-12-9-4(5(10)11)3-2-13-6(7)8-3/h2H,1H3,(H2,7,8)(H,10,11)/b9-4- |
InChI Key: | NLARCUDOUOQRPB-WTKPLQERSA-N |
Boiling Point: | Decomposes (192 °C) |
Melting Point: | 176-182 °C |
Purity: | 95 % |
Density: | 1.65 g/cm3 |
Appearance: | Off white powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture. |
MDL: | MFCD00071528 |
LogP: | 0.74160 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112409382-A | Synthesis method of cefetamet pivoxil hydrochloride | 20201126 |
CN-112321606-A | Preparation method of ceftizoxime sodium and intermediate thereof | 20201104 |
CN-110903303-A | Preparation method of cefepime hydrochloride compound | 20191216 |
WO-2021108023-A1 | Penicillin-binding protein inhibitors | 20191126 |
US-2019100534-A1 | Cephem Compounds with Latent Reactive Groups | 20171004 |
PMID | Publication Date | Title | Journal |
29772260 | 20180801 | Oxime-assisted reactivation of tabun-inhibited acetylcholinesterase analysed by active site mutations | Toxicology |
29596928 | 20180515 | Cardiac safety evaluation in zebrafish and in silico ADME prediction of cephalosporins with an aminothiazoyl ring at the C-7 position | Toxicology and applied pharmacology |
26210933 | 20160226 | Investigation of the reactivation kinetics of a large series of bispyridinium oximes with organophosphate-inhibited human acetylcholinesterase | Toxicology letters |
20406208 | 20100901 | In vitro reactivating effects of standard and newly developed oximes on malaoxon-inhibited mouse brain acetylcholinesterase | Basic & clinical pharmacology & toxicology |
16092078 | 20051101 | Effective bisquaternary reactivators of tabun-inhibited AChE | Journal of applied toxicology : JAT |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 201.02081227 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.02081227 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 126 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Related Functional Groups
Carbonyl Compounds
Oxazole/Thiazole
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