4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic Acid - CAS 26751-24-6
Catalog: |
BB019354 |
Product Name: |
4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic Acid |
CAS: |
26751-24-6 |
Synonyms: |
4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid; 4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid |
IUPAC Name: | 4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid |
Description: | An impurity of Ramosetron.Ramosetron is a serotonin 5-HT3 receptor antagonist for the treatment of nausea and vomiting. |
Molecular Weight: | 166.18 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | C1CC2=C(CC1C(=O)O)NC=N2 |
InChI: | InChI=1S/C8H10N2O2/c11-8(12)5-1-2-6-7(3-5)10-4-9-6/h4-5H,1-3H2,(H,9,10)(H,11,12) |
InChI Key: | LQXRWFGXMQZLIV-UHFFFAOYSA-N |
Boiling Point: | 498.3 °C at 760 mmHg |
Purity: | > 95 % |
Density: | 1.384 g/cm3 |
MDL: | MFCD03839866 |
LogP: | 0.59920 |
Publication Number | Title | Priority Date |
CN-108732263-A | The assay method of impurity in a kind of hydrochloric acid ramosetron injection | 20180403 |
CN-108732263-B | Method for determining impurities in ramosetron hydrochloride injection | 20180403 |
EP-3080110-B1 | Tetrahydroimidazopyridine derivatives as modulators of tnf activity | 20131209 |
ES-2743208-T3 | Tetrahydroimidazopyridine derivatives as modulators of TNF activity | 20131209 |
EP-1870408-A1 | Novel process for producing ramosetron or its salt | 20050411 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.074227566 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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