6,7-Methylenedioxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
Basic information
- CAS
15052-05-8- Standard SMILES
[Cl-].c1c2c(cc3c1OCO3)C[NH2+]CC2- InChIKey
DOJLHSBHORQYDE-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
- Monoisotopic mass
- 213.0556563
Overview
See also: Tdiq (hydrochloride) (preferred).
Names & identifiers
- Preferred name
- 6,7-Methylenedioxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
- IUPAC
- 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
- English name
- 1,3-Dioxolo[4,5-g]isoquinoline,5,6,7,8-tetrahydro-, hydrochloride (1:1)
- Molecular formula
- C10H12ClNO2
- Molecular weight
- 213.66
Names & synonyms
5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium;chlorideNSC 1129816,7-Methylenedioxy-1,2,3,4-tetrahydroisoquinoline hydrochlorideUNII-N2NE2TM9ZFAKOS004907220TDIQ (hydrochloride)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)
Database identifiers
- CAS
15052-05-8- PubChem CID
- 27012
Properties
Computed structural properties
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- solubility
- 14 mg/ml; · DMF: 14 mg/ml; DMSO: 20 mg/ml; Ethanol: 0.3 mg/ml; PBS (pH 7.2): 5 mg/ml
- form
- A crystalline solid
- FDA UNII
- 2 NE2TM9ZF · N2NE2TM9ZF
Chemistry & industry
Applications
DescriptionTDIQ (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.
Uses5,6,7,8-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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