Isoguvacine
Grundinformationen
- CAS
64603-90-3- Standard-SMILES
O=C(O)C1=CCNCC1- InChIKey
KRVDMABBKYMBHG-UHFFFAOYSA-N- Summenformel
- C6H9NO2
- Durchschnittliche Molmasse
- 127,14 g/mol
- Monoisotopische Masse
- 127,06332853
Überblick
Isoguvacine is a tetrahydropyridine.
Namen und Bezeichner
- Bevorzugter Name
- Isoguvacine
- IUPAC
- 1,2,3,6-tetrahydropyridine-4-carboxylic acid
- Englischer Name
- Isoguvacine hydrochloride
- Summenformel
- C6H9NO2
- Molmasse
- 127.14
Namen und Synonyme
isoguvacine64603-90-31,2,3,6-tetrahydropyridine-4-carboxylic acid1,2,3,6-Tetrahydro-4-pyridinecarboxylic acidYTF580771YDTXSID30214855RefChem:791873DTXCID601373461,2,3,6-Tetrahydro-pyridine-4-carboxylic acidMFCD013656994-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-CHEMBL39071
Weitere Namen anzeigen
1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXYLIC ACID HYDROCHLORIDEC13694ISOGUVACINE HCLIsoguvacine hydrochlIloperidone Impurity 66Isoguvacine hydrochlorideISOGUVACINE HYDROCHLORIDE ISO 9001：2015 REACH
1,2,3,6-Tetrahydropyridine-4-carboxylic Acid (Isoguvacine)UNII-YTF580771YAC1OEMUSSpectrum_001974Tocris-0235Lopac-G-002Spectrum3_001869Biomol-NT_000254
Datenbank-Bezeichner
- CAS
64603-90-3- PubChem CID
- 3765
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,5
- Polarare Oberfläche (TPSA)
- 49,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 151
Physikochemische Eigenschaften
- Schmelzpunkt
- 220 °C · 220 °C
- Siedepunkt
- 280.8 · 280.8±35.0 °C(Predicted)
- Dichte
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- storage temp.
- Store at RT
- Löslichkeit
- 2 O: · H2O: refrigerate if not used immediately.soluble
- Aggregatzustand
- solid
- pka
- 1 · pK1:9.07 (25°C)
- Farbe
- white
- Wasserlöslichkeit
- Soluble in water
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
Warning
H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationEndogenous compounds and drugs that bind to and activate GAMMA-AMINOBUTYRIC ACID receptors (RECEPTORS, GABA).
Anwendungen
BeschreibungThis base is isolated, together with Guvacine (q.v.) from the nuts of Areca catechu. It is optically inactive and yields crystalline salts: the hydrochloride, m.p. 231°C; aurich1oride, m.p. 198- 200°C and the p1atinich1oride, m.p. 235°C. The alkaloid is faintly acid to litmus and on methylation gives the N-methyl derivative which, on more vigorous methylation yields the dimethyl compound giving a crystalline platinichloride, m.p. 252°C. The above melting points suggest that the base may be mainly Arecaidine (q.v.) but on distillation with Zn dust, it yields products with the characteristic pyrrole reaction.
Anbieter23 Anbieter
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
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