Methyl 2-methoxy-5-sulfamoylbenzoate - CAS 33045-52-2
Catalog: |
BB021531 |
Product Name: |
Methyl 2-methoxy-5-sulfamoylbenzoate |
CAS: |
33045-52-2 |
Synonyms: |
methyl 2-methoxy-5-sulfamoylbenzoate |
IUPAC Name: | methyl 2-methoxy-5-sulfamoylbenzoate |
Description: | One of the impurities of Sulpiride and also could be used in the preparation of many compounds used as anticoagulant agent. |
Molecular Weight: | 245.25 |
Molecular Formula: | C9H11NO5S |
Canonical SMILES: | COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OC |
InChI: | InChI=1S/C9H11NO5S/c1-14-8-4-3-6(16(10,12)13)5-7(8)9(11)15-2/h3-5H,1-2H3,(H2,10,12,13) |
InChI Key: | MKDYDRQLKPGNNU-UHFFFAOYSA-N |
Boiling Point: | 439.8 °C at 760 mmHg |
Melting Point: | 175-176 °C |
Purity: | 98 % |
Density: | 1.36 g/cm3 |
Appearance: | White to off-white solid |
MDL: | MFCD01317542 |
LogP: | 1.91030 |
GHS Hazard Statement: | H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P321, P330, P332+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112441960-A | Synthetic method of sulpiride | 20201214 |
CN-105439915-A | Preparation method of methyl 2-methoxy-5-sulfamoylbenzoate | 20151230 |
CN-103804265-A | Synthesis and post-processing method of sulpiride or optical isomer thereof | 20121108 |
EP-2222660-A1 | 3-heterocyclic substituted indole derivatives and methods of use thereof | 20071116 |
EP-2222660-B1 | 3-heterocyclic substituted indole derivatives and methods of use thereof | 20071116 |
PMID | Publication Date | Title | Journal |
22333299 | 20120214 | Simultaneous determination of sulpiride and mebeverine by HPLC method using fluorescence detection: application to real human plasma | Chemistry Central journal |
Complexity: | 347 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.03579362 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.03579362 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 104 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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