5-Isoquinolinesulfonic acid - CAS 27655-40-9
Catalog: |
BB019631 |
Product Name: |
5-Isoquinolinesulfonic acid |
CAS: |
27655-40-9 |
Synonyms: |
isoquinoline-5-sulfonic acid |
IUPAC Name: | isoquinoline-5-sulfonic acid |
Description: | 5-Isoquinolinesulfonic acid (CAS# 27655-40-9) is a compound useful in organic synthesis. |
Molecular Weight: | 209.22 |
Molecular Formula: | C9H7NO3S |
Canonical SMILES: | C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)O |
InChI: | InChI=1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13) |
InChI Key: | YFMJTLUPSMCTOQ-UHFFFAOYSA-N |
Melting Point: | 300 °C |
Purity: | 95 % |
Density: | 1.499 g/cm3 |
Appearance: | White to off-white solid |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. |
MDL: | MFCD00134089 |
LogP: | 2.56230 |
GHS Hazard Statement: | H290 (100%): May be corrosive to metals [Warning Corrosive to Metals] |
Precautionary Statement: | P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113372329-A | Preparation method of fasudil hydrochloride compound | 20210615 |
CN-112684038-A | Method for detecting 5-isoquinoline ethyl sulfonate in fasudil hydrochloride | 20201211 |
CN-214320169-U | Reation kettle is used in 5-isoquinoline sulfonic acid preparation | 20201203 |
CN-111909088-A | Utilizing BTC/Ph3Method for preparing isoquinoline hydrochloride intermediate and Rho kinase inhibitor by PO chloro system | 20200804 |
WO-2021185844-A1 | Use of substance and pharmaceutical composition thereof, and medical treatments or uses thereof | 20200316 |
PMID | Publication Date | Title | Journal |
17125267 | 20061130 | Conjugation of adenosine and hexa-(D-arginine) leads to a nanomolar bisubstrate-analog inhibitor of basophilic protein kinases | Journal of medicinal chemistry |
12779240 | 20031201 | Cis-[Pt(Cl)2(pyridine)(5-SO3H-isoquinoline)] complex, a selective inhibitor of telomerase enzyme | Biometals : an international journal on the role of metal ions in biology, biochemistry, and medicine |
12021404 | 20020601 | The muscarinic acetylcholine receptor-stimulated increase in aquaporin-5 levels in the apical plasma membrane in rat parotid acinar cells is coupled with activation of nitric oxide/cGMP signal transduction | Molecular pharmacology |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.01466426 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.01466426 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 75.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Related Functional Groups
Quinoline/Isoquinoline
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