4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic acid

HCID 11030183

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Grundinformationen

CAS: 26751-24-6
Standard-SMILES: O=C(O)C1CCc2nc[nH]c2C1
InChIKey: LQXRWFGXMQZLIV-UHFFFAOYSA-N
Summenformel: C8H10N2O2
Durchschnittliche Molmasse: 166,18 g/mol
Monoisotopische Masse: 166,07422757

Namen und Bezeichner

Bevorzugter Name: 4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic acid
IUPAC: 4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
Englischer Name: 4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic acid
Summenformel: C8H10N2O2
Molmasse: 166.18

Namen und Synonyme

26751-24-64,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic acid4,5,6,7-tetrahydro-1H-benzo[d]imidazole-5-carboxylic acid4,5,6,7-tetrahydro-1H-benzimidazole-5-carboxylic acidMFCD038398664,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid1H-Benzimidazole-5-carboxylic acid, 4,5,6,7-tetrahydro-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylic acid749184-49-4Ramosetron Impurity 4SCHEMBL3176454SCHEMBL6851022

Weitere Namen anzeigen

4,5,6,7-Tetrahydro-1H-benzo[d]imidazole-6-carboxylic acidRamosetron Impurity 15Ramosetron Impurity 114,5,6,7-Tetrahydro-1H-benziMidazole-5-carboxylic4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic4,5,6,7-Tetrahydro-1H-benzimidazole-6-carboxylic acid1H-Benzimidazole-6-carboxylic acid, 4,5,6,7-tetrahydro-

CHEMBL17897984,5,6,7-Tetrahydro-1H-benzo[d]imidazole-5-carboxylicacidDTXSID40949560LQXRWFGXMQZLIV-UHFFFAOYSA-NAKOS005765993AC-6729SS-3113SY023404

Datenbank-Bezeichner

CAS: 26751-24-6
PubChem CID: 11030183
DTXSID: DTXSID40949560
ChEMBL: CHEMBL1789798
Nikkaji: J1.624.386H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 66 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 195

Physikochemische Eigenschaften

Siedepunkt: 498.3 · 498.3±45.0 °C(Predicted)
Dichte: 1.384 · 1.384±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.94 · 3.94±0.20(Predicted)
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)
InChIKey: LQXRWFGXMQZLIV-UHFFFAOYSA-N
SMILES: C1NC2CC(C(O)=O)CCC=2N=1

Sicherheit und Regulatorisches

Sicherheitsdaten

hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden4,5,6,7-Tetrahydro-1H-benzimidazole-5-carboxylic Acid is a conformationally restricted inhibitor of active thrombin activatable fibrinolysis inhibitor (TAFI) . Activated TAFI protects fibrin clots against lysis.