Tdiq (hydrochloride)
Grundinformationen
- CAS
15052-05-8- Standard-SMILES
Cl.c1c2c(cc3c1OCO3)CNCC2- InChIKey
DOJLHSBHORQYDE-UHFFFAOYSA-N- Summenformel
- C10H12ClNO2
- Durchschnittliche Molmasse
- 213,66 g/mol
- Monoisotopische Masse
- 213,0556563
Namen und Bezeichner
- Bevorzugter Name
- Tdiq (hydrochloride)
- IUPAC
- 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
- Englischer Name
- 1,3-Dioxolo[4,5-g]isoquinoline,5,6,7,8-tetrahydro-, hydrochloride (1:1)
- Summenformel
- C10H12ClNO2
- Molmasse
- 213.66
Namen und Synonyme
TDIQ (hydrochloride)15052-05-8N2NE2TM9ZFNSC-1129811,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-, hydrochloride (1:1)1,3-DIOXOLO(4,5-G)ISOQUINOLINE, 5,6,7,8-TETRAHYDRO-, HYDROCHLORIDE (1:1)RefChem:2032021,3-DIOXOLO(4,5-G)ISOQUINOLINE, 5,6,7,8-TETRAHYDRO-, HYDROCHLORIDE2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinoline hydrochloride5,6,7,8-Tetrahydro-1,3-dioxolo(4,5-g)isoquinoline hydrochloride5,6,7,8-Tetrahydro-1,3-Dioxolo[4,5-g]isoquinoline HydrochlorideTDIQ
Weitere Namen anzeigen
5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline hydrochloride1,3-Dioxolo[4,5-g]isoquinoline,5,6,7,8-tetrahydro-, hydrochloride (11,3-Dioxolo[4,5-g]isoquinoline,5,6,7,8-tetrahydro-, hydrochloride (1:1)
SCHEMBL915241orb2945853DTXSID00933985DOJLHSBHORQYDE-UHFFFAOYSA-NHY-W042920AQAA05205MFCD01444817NSC112981
Datenbank-Bezeichner
- CAS
15052-05-8- PubChem CID
- 2752332
- DTXSID
DTXSID00933985- UNII
- N2NE2TM9ZF
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 30,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 197
Physikochemische Eigenschaften
- Löslichkeit
- 14 mg/ml; · DMF: 14 mg/ml; DMSO: 20 mg/ml; Ethanol: 0.3 mg/ml; PBS (pH 7.2): 5 mg/ml
- Aggregatzustand
- A crystalline solid
Chemie und Industrie
Anwendungen
BeschreibungTDIQ (hydrochloride) is an analytical reference standard that is classified as a phenylalkylamine. It is related in structure to amphetamines but does not appear to affect locomotor activity. TDIQ is a partial agonist of α2A-, α2B-, and α2C-adrenergic receptors (Kis = 75, 95, and 65 nM, respectively) but has low affinity for dopamine or serotonin receptors and does not affect catecholamine release in rodent brain synaptosomes. Drug discrimination studies in rats indicate that it can serve as a discriminative stimulus, generalizing to cocaine (Item Nos. 16186, ISO60176) and partially to 3,4-MDMA (Item Nos. 13971, ISO60190) and methcathinone , but not to amphetamine (Item Nos. 15797, 15650). TDIQ has also been shown to exhibit anxiolytic and anorectic effects in rodent models. This product is intended for forensic and research purposes.
Verwenden5,6,7,8-Tetrahydro-1,3-Dioxolo[4,5-g]isoquinoline Hydrochloride is an intermediate in synthesizing (+/-)-β-Hydrastine (H675690), an inhibitor of Dopamine biosynthesis.
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