Pyrazin-2-carbonsure
2-Pyrazinecarboxylic acid
Grundinformationen
- CAS
98-97-5- Standard-SMILES
O=C(O)c1cnccn1- InChIKey
NIPZZXUFJPQHNH-UHFFFAOYSA-N- Summenformel
- C5H4N2O2
- Durchschnittliche Molmasse
- 124,1 g/mol
- Monoisotopische Masse
- 124,02727737
Überblick
Pyrazine-2-carboxylic acid is the parent compound of the class of pyrazinecarboxylic acids, that is pyrazine bearing a single carboxy substituent. The active metabolite of the antitubercular drug pyrazinamide. It has a role as an antitubercular agent and a drug metabolite. It is a conjugate acid of a pyrazine-2-carboxylate.
Namen und Bezeichner
- Bevorzugter Name
- 2-Pyrazinecarboxylic acid
- IUPAC
- pyrazine-2-carboxylic acid
- Lokaler Name
- Pyrazin-2-carbonsure
- Englischer Name
- 2-Pyrazinecarboxylic acid
- Summenformel
- C5H4N2O2
- Molmasse
- 124.1
Namen und Synonyme
Pyrazine-2-carboxylic acid2-Pyrazinecarboxylic acid98-97-5pyrazinoic acidpyrazinecarboxylic acidParadiazinecarboxylic acidpyrazinemonocarboxylic acidNSC-13146CHEBI:71311DTXSID302433672WB23298SPRefChem:177455
Weitere Namen anzeigen
NSC 13146NSC 27192NSC 13146-d3NSC 27192-d3Pyrazoic acidPyrazinecarboxyL
CHEBI:48345DTXCID30165858202-718-1Pyrazinic acid2-Carboxypyrazine2-Pyrazine carboxylic acid2-Pyrazinoic acidPiazinecarboxylic acid
Datenbank-Bezeichner
- CAS
98-97-5- PubChem CID
- 1047
- DTXSID
DTXSID30243367- ChEMBL
CHEMBL613- ChEBI
CHEBI:71311- UNII
- 2WB23298SP
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 63,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 116
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Pyrazines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physical DescriptionWhite solid; [Merck Index] White or off-white powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 222 · 222-225 °C (dec.)(lit.)
- Siedepunkt
- 230.85 °C · 230.85°C (rough estimate)
- Dichte
- 1.4317 · 1.4317 (rough estimate)
- Dampfdruck
- 0.011 Pa · 0.011Pa at 25℃
- Brechungsindex
- 1.48 · 1.4800 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Heated)
- Aggregatzustand
- Crystalline Powder
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 82.4% (14 of 17) of all reports.
Warning
H315 (17.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 17 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Pyrazinecarboxylic acid
Status: Cease Manufacture Update: 28-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19785
Pyrazinecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (17.6%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339990
- risk_code
- 11-34
- hazard_code
- Xi,C,F
- safety_code
- 22-24/25-45-36/37/39-26-16
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsKidney
Cellular LocationsCytoplasm
Anwendungen
VerwendenPyrazinecarboxylic Acid is a very potent urate retaining drug. Pyrazinecarboxylic Acid is a metabolite of the antibacterial agent Pyrazinamide (P840600).
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