Methyl 4-amino-3-(methylamino)benzoate - CAS 616224-38-5
Catalog: |
BB059438 |
Product Name: |
Methyl 4-amino-3-(methylamino)benzoate |
CAS: |
616224-38-5 |
Synonyms: |
Methyl 4-amino-3-(methylamino)benzoate; Benzoic acid, 4-amino-3-(methylamino)-, methyl ester; Methyl4-amino-3-(methylamino)benzoate; 4-amino-3-methylamino-benzoic acid methyl ester |
IUPAC Name: | methyl 4-amino-3-(methylamino)benzoate |
Description: | Methyl 4-amino-3-(methylamino)benzoate |
Molecular Weight: | 180.2 |
Molecular Formula: | C9H12N2O2 |
Canonical SMILES: | CNC1=C(C=CC(=C1)C(=O)OC)N |
InChI: | InChI=1S/C9H12N2O2/c1-11-8-5-6(9(12)13-2)3-4-7(8)10/h3-5,11H,10H2,1-2H3 |
InChI Key: | VWGIBJGZLCERFV-UHFFFAOYSA-N |
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020200308-A | Combinations for the treatment of NASH / NAFLD and related diseases | 20190520 |
WO-2020234726-A1 | Combinations comprising benzodioxol as glp-1r agonists for use in the treatment of nash/nafld and related diseases | 20190520 |
TW-202110446-A | Combinations for treatment of nash/nafld and related diseases | 20190520 |
CA-3140972-A1 | Combinations comprising benzodioxol as glp-1r agonists for use in the treatment of nash/nafld and related diseases | 20190520 |
CN-113874019-A | Combinations comprising benzodioxoles as GLP-1R agonists for the treatment of NASH/NAFLD and related diseases | 20190520 |
WO-2019239371-A1 | Glp-1 receptor agonists and uses thereof | 20180615 |
AU-2019285570-A1 | GLP-1 receptor agonists and uses thereof | 20180615 |
BR-112020024956-A2 | GLP-1 RECEPTOR AGONISTS AND USES OF THE SAME | 20180615 |
CA-3103051-A1 | Glp-1 receptor agonists and uses thereof | 20180615 |
CN-112566637-A | GLP-1 receptor agonists and uses thereof | 20180615 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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