CAS 65872-41-5 | 2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetic acid | CAS Number 65872-41-5

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65872-41-5 | 2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetic acid

CAS No: 65872-41-5 Catalog No: AG003EQW MDL No:MFCD00071528

Product Description

Catalog Number:

AG003EQW

Chemical Name:

2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetic acid

CAS Number:

65872-41-5

Molecular Formula:

C6H7N3O3S

Molecular Weight:

201.2031

MDL Number:

MFCD00071528

IUPAC Name:

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid

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

SMILES:

CO/N=C(\c1csc(n1)N)/C(=O)O

EC Number:

265-957-0

UNII:

31Y5PR0Y6R

Properties

Complexity:

233

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

201.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

201.2g/mol

Monoisotopic Mass:

201.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

126A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
Oxime-assisted reactivation of tabun-inhibited acetylcholinesterase analysed by active site mutations.	Toxicology 20180801
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 20180515
Investigation of the reactivation kinetics of a large series of bispyridinium oximes with organophosphate-inhibited human acetylcholinesterase.	Toxicology letters 20160226
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
In vitro reactivating effects of standard and newly developed oximes on malaoxon-inhibited mouse brain acetylcholinesterase.	Basic & clinical pharmacology & toxicology 20100901
Effective bisquaternary reactivators of tabun-inhibited AChE.	Journal of applied toxicology : JAT 20050101