cinnoline-3-carboxylic acid - CAS 90418-63-6
Catalog: |
BB039849 |
Product Name: |
cinnoline-3-carboxylic acid |
CAS: |
90418-63-6 |
Synonyms: |
3-cinnolinecarboxylic acid; cinnoline-3-carboxylic acid |
IUPAC Name: | cinnoline-3-carboxylic acid |
Description: | cinnoline-3-carboxylic acid (CAS# 90418-63-6) is a reagent used in the synthesis f a TRPM8 antagonist which shows clinical efficacy on cold-environment related pain. |
Molecular Weight: | 174.159 |
Molecular Formula: | C9H6N2O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(N=N2)C(=O)O |
InChI: | InChI=1S/C9H6N2O2/c12-9(13)8-5-6-3-1-2-4-7(6)10-11-8/h1-5H,(H,12,13) |
InChI Key: | BLFJCJKTSCOLEY-UHFFFAOYSA-N |
LogP: | 1.32800 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
CN-112955012-A | Compositions comprising a pyridine carboxylate herbicide and a plant growth regulator | 20181107 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
US-2020102311-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
PMID | Publication Date | Title | Journal |
12848362 | 20030101 | Structure and biological activity of some 4-amino-3-cinnolinecarboxylic acid derivatives. QSAR analysis of cinnoline derivatives with antibacterial properties | Acta poloniae pharmaceutica |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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