4,5,6,7-Tetrahydro-(1,2,3)oxadiazolo(3,4-a)pyridin-8-ium-3-olate
Grundinformationen
- CAS
105786-95-6- Standard-SMILES
[O-]c1on[n+]2c1CCCC2- InChIKey
OBCUGZUJWKHNHA-UHFFFAOYSA-N- Summenformel
- C6H8N2O2
- Durchschnittliche Molmasse
- 140,14 g/mol
- Monoisotopische Masse
- 140,0585775
Namen und Bezeichner
- Bevorzugter Name
- 4,5,6,7-Tetrahydro-(1,2,3)oxadiazolo(3,4-a)pyridin-8-ium-3-olate
- IUPAC
- 4,5,6,7-tetrahydrooxadiazolo[3,4-a]pyridin-8-ium-3-olate
- Englischer Name
- 4,5,6,7-Tetrahydro-3-hydroxy-[1,2,3]oxadiazolo[3,4-a]pyridin-8-ium inner salt
- Summenformel
- C6H8N2O2
- Molmasse
- 140.14
Namen und Synonyme
105786-95-64,5,6,7-Tetrahydro-[1,2,3]oxadiazolo[3,4-a]pyridin-8-ium-3-olateDTXSID204743254,5,6,7-Tetrahydro-(1,2,3)oxadiazolo(3,4-a)pyridin-8-ium-3-olateRefChem:285121DTXCID60425139844-437-2Tetrahydropyrido[c]sydnone4,5,6,7-tetrahydrooxadiazolo[3,4-a]pyridin-8-ium-3-olateMFCD131949174,5,6,7-Tetrahydro-3-hydroxy-[1,2,3]oxadiazolo[3,4-a]pyridin-8-ium inner salt4,5,6,7-tetrahydro[1,2,3]oxadiazolo[3,4-a]pyridin-8-ium-3-olate
Weitere Namen anzeigen
[1,2,3]Oxadiazolo[3,4-a]pyridin-8-iuM, 4,5,6,7-tetrahydro-3-hydroxy-, inner salt4,5,6,7-Tetrahydro-3-hydroxy-[1,2,3]oxadiazolo[3,4-a]pyridin-8-ium inner salt ISO 9001：2015 REACH
NSC24711OBCUGZUJWKHNHA-UHFFFAOYSA-NSCHEMBL2525004SCHEMBL3798340SCHEMBL30510070FEA78695NSC-24711AKOS016003885
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 53 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 131
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- hs_code
- 2933399990
Chemie und Industrie
Anwendungen
Verwenden4,5,6,7-Tetrahydro-3-hydroxy-[1,2,3]oxadiazolo[3,4-a]pyridin-8-ium Inner Salt is a useful synthetic intermediate. It is used to prepare fused bicyclic heterocycles as potent and selective 5-HT2A receptor antagonists for the treatment of insomnia. It is also used to synthesize β-Lactamase Inhibitors.
Anbieter12 Anbieter
韶远科技（上海）有限公司4000665055 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
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